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We study the asymptotical compatibility of the Fourier spectral method in multidimensional space for the Nonlocal Ohta-Kawasaka (NOK) model, which is proposed in our previous work. By introducing the Fourier collocation discretization for the spatial variable, we show that the asymptotical compatibility holds in 2D and 3D over a periodic domain. For the temporal discretization, we adopt the second-order backward differentiation formula (BDF) method. We prove that for certain nonlocal kernels, the proposed time discretization schemes inherit the energy dissipation law. In the numerical experiments, we verify the asymptotical compatibility, the second-order temporal convergence rate, and the energy stability of the proposed schemes. More importantly, we discover a novel square lattice pattern when certain nonlocal kernel are applied in the model. In addition, our numerical experiments confirm the existence of an upper bound for the optimal number of bubbles in 2D for some specific nonlocal kernels. Finally, we numerically explore the promotion/demotion effect induced by the nonlocal horizon, which is consistent with the theoretical studies presented in our earlier work.

As Large Language Models (LLMs) are deployed more widely, customization with respect to vocabulary, style and character becomes more important. In this work we introduce model arithmetic, a novel inference framework for composing and biasing LLMs without the need for model (re)training or highly specific datasets. In addition, the framework allows for more precise control of generated text than direct prompting and prior controlled text generation (CTG) techniques. Using model arithmetic, we can express prior CTG techniques as simple formulas and naturally extend them to new and more effective formulations. Further, we show that speculative sampling, a technique for efficient LLM sampling, extends to our setting. This enables highly efficient text generation with multiple composed models with only marginal overhead over a single model. Our empirical evaluation demonstrates that model arithmetic allows fine-grained control of generated text while outperforming state-of-the-art on the task of toxicity reduction.

Gaussian Process Networks (GPNs) are a class of directed graphical models which employ Gaussian processes as priors for the conditional expectation of each variable given its parents in the network. The model allows the description of continuous joint distributions in a compact but flexible manner with minimal parametric assumptions on the dependencies between variables. Bayesian structure learning of GPNs requires computing the posterior over graphs of the network and is computationally infeasible even in low dimensions. This work implements Monte Carlo and Markov Chain Monte Carlo methods to sample from the posterior distribution of network structures. As such, the approach follows the Bayesian paradigm, comparing models via their marginal likelihood and computing the posterior probability of the GPN features. Simulation studies show that our method outperforms state-of-the-art algorithms in recovering the graphical structure of the network and provides an accurate approximation of its posterior distribution.

This work addresses the development of a physics-informed neural network (PINN) with a loss term derived from a discretized time-dependent reduced-order system. In this work, first, the governing equations are discretized using a finite difference scheme (whereas, any other discretization technique can be adopted), then projected on a reduced or latent space using the Proper Orthogonal Decomposition (POD)-Galerkin approach and next, the residual arising from discretized reduced order equation is considered as an additional loss penalty term alongside the data-driven loss term using different variants of deep learning method such as Artificial neural network (ANN), Long Short-Term Memory based neural network (LSTM). The LSTM neural network has been proven to be very effective for time-dependent problems in a purely data-driven environment. The current work demonstrates the LSTM network's potential over ANN networks in physics-informed neural networks (PINN) as well. The potential of using discretized governing equations instead of continuous form lies in the flexibility of input to the PINN. Different sizes of data ranging from small, medium to big datasets are used to assess the potential of discretized-physics-informed neural networks when there is very sparse or no data available. The proposed methods are applied to a pitch-plunge airfoil motion governed by rigid-body dynamics and a one-dimensional viscous Burgers' equation. The current work also demonstrates the prediction capability of various discretized-physics-informed neural networks outside the domain where the data is available or governing equation-based residuals are minimized.

We introduce a novel dynamic learning-rate scheduling scheme grounded in theory with the goal of simplifying the manual and time-consuming tuning of schedules in practice. Our approach is based on estimating the locally-optimal stepsize, guaranteeing maximal descent in the direction of the stochastic gradient of the current step. We first establish theoretical convergence bounds for our method within the context of smooth non-convex stochastic optimization, matching state-of-the-art bounds while only assuming knowledge of the smoothness parameter. We then present a practical implementation of our algorithm and conduct systematic experiments across diverse datasets and optimization algorithms, comparing our scheme with existing state-of-the-art learning-rate schedulers. Our findings indicate that our method needs minimal tuning when compared to existing approaches, removing the need for auxiliary manual schedules and warm-up phases and achieving comparable performance with drastically reduced parameter tuning.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine.

Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the ordering of node neighbors, even when there is a geometric interpretation of the graph vertices that provides an order based on their spatial positions. To remedy this issue, we propose Geometric Graph Convolutional Network (geo-GCN) which uses spatial features to efficiently learn from graphs that can be naturally located in space. Our contribution is threefold: we propose a GCN-inspired architecture which (i) leverages node positions, (ii) is a proper generalisation of both GCNs and Convolutional Neural Networks (CNNs), (iii) benefits from augmentation which further improves the performance and assures invariance with respect to the desired properties. Empirically, geo-GCN outperforms state-of-the-art graph-based methods on image classification and chemical tasks.