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Quantum Relative Entropy (QRE) programming is a recently popular and challenging class of convex optimization problems with significant applications in quantum computing and quantum information theory. We are interested in modern interior point (IP) methods based on optimal self-concordant barriers for the QRE cone. A range of theoretical and numerical challenges associated with such barrier functions and the QRE cones have hindered the scalability of IP methods. To address these challenges, we propose a series of numerical and linear algebraic techniques and heuristics aimed at enhancing the efficiency of gradient and Hessian computations for the self-concordant barrier function, solving linear systems, and performing matrix-vector products. We also introduce and deliberate about some interesting concepts related to QRE such as symmetric quantum relative entropy (SQRE). We also introduce a two-phase method for performing facial reduction that can significantly improve the performance of QRE programming. Our new techniques have been implemented in the latest version (DDS 2.2) of the software package DDS. In addition to handling QRE constraints, DDS accepts any combination of several other conic and non-conic convex constraints. Our comprehensive numerical experiments encompass several parts including 1) a comparison of DDS 2.2 with Hypatia for the nearest correlation matrix problem, 2) using DDS for combining QRE constraints with various other constraint types, and 3) calculating the key rate for quantum key distribution (QKD) channels and presenting results for several QKD protocols.

We examine the linear regression problem in a challenging high-dimensional setting with correlated predictors where the vector of coefficients can vary from sparse to dense. In this setting, we propose a combination of probabilistic variable screening with random projection tools as a viable approach. More specifically, we introduce a new data-driven random projection tailored to the problem at hand and derive a theoretical bound on the gain in expected prediction error over conventional random projections. The variables to enter the projection are screened by accounting for predictor correlation. To reduce the dependence on fine-tuning choices, we aggregate over an ensemble of linear models. A thresholding parameter is introduced to obtain a higher degree of sparsity. Both this parameter and the number of models in the ensemble can be chosen by cross-validation. In extensive simulations, we compare the proposed method with other random projection tools and with classical sparse and dense methods and show that it is competitive in terms of prediction across a variety of scenarios with different sparsity and predictor covariance settings. We also show that the method with cross-validation is able to rank the variables satisfactorily. Finally, we showcase the method on two real data applications.

Dynamic graph neural networks (DyGNNs) have demonstrated powerful predictive abilities by exploiting graph structural and temporal dynamics. However, the existing DyGNNs fail to handle distribution shifts, which naturally exist in dynamic graphs, mainly because the patterns exploited by DyGNNs may be variant with respect to labels under distribution shifts. In this paper, we propose Disentangled Intervention-based Dynamic graph Attention networks with Invariance Promotion (I-DIDA) to handle spatio-temporal distribution shifts in dynamic graphs by discovering and utilizing invariant patterns, i.e., structures and features whose predictive abilities are stable across distribution shifts. Specifically, we first propose a disentangled spatio-temporal attention network to capture the variant and invariant patterns. By utilizing the disentangled patterns, we design a spatio-temporal intervention mechanism to create multiple interventional distributions and an environment inference module to infer the latent spatio-temporal environments, and minimize the variance of predictions among these intervened distributions and environments, so that our model can make predictions based on invariant patterns with stable predictive abilities under distribution shifts. Extensive experiments demonstrate the superiority of our method over state-of-the-art baselines under distribution shifts. Our work is the first study of spatio-temporal distribution shifts in dynamic graphs, to the best of our knowledge.

Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs. Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle cases involving distribution shifts in the spectral domain. In this paper, we discover that there exist cases with distribution shifts unobservable in the time domain while observable in the spectral domain, and propose to study distribution shifts on dynamic graphs in the spectral domain for the first time. However, this investigation poses two key challenges: i) it is non-trivial to capture different graph patterns that are driven by various frequency components entangled in the spectral domain; and ii) it remains unclear how to handle distribution shifts with the discovered spectral patterns. To address these challenges, we propose Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (SILD), which can handle distribution shifts on dynamic graphs by capturing and utilizing invariant and variant spectral patterns. Specifically, we first design a DyGNN with Fourier transform to obtain the ego-graph trajectory spectrums, allowing the mixed dynamic graph patterns to be transformed into separate frequency components. We then develop a disentangled spectrum mask to filter graph dynamics from various frequency components and discover the invariant and variant spectral patterns. Finally, we propose invariant spectral filtering, which encourages the model to rely on invariant patterns for generalization under distribution shifts. Experimental results on synthetic and real-world dynamic graph datasets demonstrate the superiority of our method for both node classification and link prediction tasks under distribution shifts.

The sixth generation (6G) systems will likely employ orthogonal frequency division multiplexing (OFDM) waveform for performing the joint task of sensing and communication. In this paper, we design an OFDM system for integrated sensing and communication (ISAC) and propose a novel approach for passive target detection in an indoor deployment using a data driven AI approach. The delay-Doppler profile (DDP) and power delay profile (PDP) is used to train the proposed AI-based detector. We analyze the detection performance of the proposed methods under line of sight (LOS) and non-line of sight (NLOS) conditions for various training strategies. We show that the proposed method provides 10 dB performance improvement over the baseline for 80% target detection under LOS conditions and the performance drops by 10-20 dB for NLOS depending on the usecase scenarios.

We propose a channel estimation scheme based on joint sparsity pattern learning (JSPL) for massive multi-input multi-output (MIMO) orthogonal time-frequency-space (OTFS) modulation aided systems. By exploiting the potential joint sparsity of the delay-Doppler-angle (DDA) domain channel, the channel estimation problem is transformed into a sparse recovery problem. To solve it, we first apply the spike and slab prior model to iteratively estimate the support set of the channel matrix, and a higher-accuracy parameter update rule relying on the identified support set is introduced into the iteration. Then the specific values of the channel elements corresponding to the support set are estimated by the orthogonal matching pursuit (OMP) method. Both our simulation results and analysis demonstrate that the proposed JSPL channel estimation scheme achieves an improved performance over the representative state-of-the-art baseline schemes, despite its reduced pilot overhead.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

In semi-supervised domain adaptation, a few labeled samples per class in the target domain guide features of the remaining target samples to aggregate around them. However, the trained model cannot produce a highly discriminative feature representation for the target domain because the training data is dominated by labeled samples from the source domain. This could lead to disconnection between the labeled and unlabeled target samples as well as misalignment between unlabeled target samples and the source domain. In this paper, we propose a novel approach called Cross-domain Adaptive Clustering to address this problem. To achieve both inter-domain and intra-domain adaptation, we first introduce an adversarial adaptive clustering loss to group features of unlabeled target data into clusters and perform cluster-wise feature alignment across the source and target domains. We further apply pseudo labeling to unlabeled samples in the target domain and retain pseudo-labels with high confidence. Pseudo labeling expands the number of ``labeled" samples in each class in the target domain, and thus produces a more robust and powerful cluster core for each class to facilitate adversarial learning. Extensive experiments on benchmark datasets, including DomainNet, Office-Home and Office, demonstrate that our proposed approach achieves the state-of-the-art performance in semi-supervised domain adaptation.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.