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Mixture of Experts (MoE) models have emerged as a primary solution for reducing the computational cost of Large Language Models. In this work, we analyze their scaling properties, incorporating an expanded range of variables. Specifically, we introduce a new hyperparameter, granularity, whose adjustment enables precise control over the size of the experts. Building on this, we establish scaling laws for fine-grained MoE, taking into account the number of training tokens, model size, and granularity. Leveraging these laws, we derive the optimal training configuration for a given computational budget. Our findings not only show that MoE models consistently outperform dense Transformers but also highlight that the efficiency gap between dense and MoE models widens as we scale up the model size and training budget. Furthermore, we demonstrate that the common practice of setting the size of experts in MoE to mirror the feed-forward layer is not optimal at almost any computational budget.

This study evaluates the ability of Large Language Model (LLM)-based Subpopulation Representative Models (SRMs) to generalize from empirical data, utilizing in-context learning with data from the 2016 and 2020 American National Election Studies. We explore generalization across response variables and demographic subgroups. While conditioning with empirical data improves performance on the whole, the benefit of in-context learning varies considerably across demographics, sometimes hurting performance for one demographic while helping performance for others. The inequitable benefits of in-context learning for SRM present a challenge for practitioners implementing SRMs, and for decision-makers who might come to rely on them. Our work highlights a need for fine-grained benchmarks captured from diverse subpopulations that test not only fidelity but generalization.

We provide a new approach to obtain solutions of certain evolution equations set in a Banach space and equipped with nonlocal boundary conditions. From this approach we derive a family of numerical schemes for the approximation of the solutions. We show by numerical tests that these schemes are numerically robust and computationally efficient.

We develop a general theory to optimize the frequentist regret for sequential learning problems, where efficient bandit and reinforcement learning algorithms can be derived from unified Bayesian principles. We propose a novel optimization approach to generate "algorithmic beliefs" at each round, and use Bayesian posteriors to make decisions. The optimization objective to create "algorithmic beliefs," which we term "Algorithmic Information Ratio," represents an intrinsic complexity measure that effectively characterizes the frequentist regret of any algorithm. To the best of our knowledge, this is the first systematical approach to make Bayesian-type algorithms prior-free and applicable to adversarial settings, in a generic and optimal manner. Moreover, the algorithms are simple and often efficient to implement. As a major application, we present a novel algorithm for multi-armed bandits that achieves the "best-of-all-worlds" empirical performance in the stochastic, adversarial, and non-stationary environments. And we illustrate how these principles can be used in linear bandits, bandit convex optimization, and reinforcement learning.

A pivotal aspect in the design of neural networks lies in selecting activation functions, crucial for introducing nonlinear structures that capture intricate input-output patterns. While the effectiveness of adaptive or trainable activation functions has been studied in domains with ample data, like image classification problems, significant gaps persist in understanding their influence on classification accuracy and predictive uncertainty in settings characterized by limited data availability. This research aims to address these gaps by investigating the use of two types of adaptive activation functions. These functions incorporate shared and individual trainable parameters per hidden layer and are examined in three testbeds derived from additive manufacturing problems containing fewer than one hundred training instances. Our investigation reveals that adaptive activation functions, such as Exponential Linear Unit (ELU) and Softplus, with individual trainable parameters, result in accurate and confident prediction models that outperform fixed-shape activation functions and the less flexible method of using identical trainable activation functions in a hidden layer. Therefore, this work presents an elegant way of facilitating the design of adaptive neural networks in scientific and engineering problems.

Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class are prone to connect to each other), while ignoring the heterophily which exists in many real-world networks (i.e., nodes with different classes tend to form edges). Existing methods deal with heterophily by mainly aggregating higher-order neighborhoods or combing the immediate representations, which leads to noise and irrelevant information in the result. But these methods did not change the propagation mechanism which works under homophily assumption (that is a fundamental part of GCNs). This makes it difficult to distinguish the representation of nodes from different classes. To address this problem, in this paper we design a novel propagation mechanism, which can automatically change the propagation and aggregation process according to homophily or heterophily between node pairs. To adaptively learn the propagation process, we introduce two measurements of homophily degree between node pairs, which is learned based on topological and attribute information, respectively. Then we incorporate the learnable homophily degree into the graph convolution framework, which is trained in an end-to-end schema, enabling it to go beyond the assumption of homophily. More importantly, we theoretically prove that our model can constrain the similarity of representations between nodes according to their homophily degree. Experiments on seven real-world datasets demonstrate that this new approach outperforms the state-of-the-art methods under heterophily or low homophily, and gains competitive performance under homophily.

Translational distance-based knowledge graph embedding has shown progressive improvements on the link prediction task, from TransE to the latest state-of-the-art RotatE. However, N-1, 1-N and N-N predictions still remain challenging. In this work, we propose a novel translational distance-based approach for knowledge graph link prediction. The proposed method includes two-folds, first we extend the RotatE from 2D complex domain to high dimension space with orthogonal transforms to model relations for better modeling capacity. Second, the graph context is explicitly modeled via two directed context representations. These context representations are used as part of the distance scoring function to measure the plausibility of the triples during training and inference. The proposed approach effectively improves prediction accuracy on the difficult N-1, 1-N and N-N cases for knowledge graph link prediction task. The experimental results show that it achieves better performance on two benchmark data sets compared to the baseline RotatE, especially on data set (FB15k-237) with many high in-degree connection nodes.

Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. While many different methods have been proposed, there is a lack of a unifying framework that would lead to state-of-the-art results. Here we develop PathCon, a knowledge graph completion method that harnesses four novel insights to outperform existing methods. PathCon predicts relations between a pair of entities by: (1) Considering the Relational Context of each entity by capturing the relation types adjacent to the entity and modeled through a novel edge-based message passing scheme; (2) Considering the Relational Paths capturing all paths between the two entities; And, (3) adaptively integrating the Relational Context and Relational Path through a learnable attention mechanism. Importantly, (4) in contrast to conventional node-based representations, PathCon represents context and path only using the relation types, which makes it applicable in an inductive setting. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. Finally, PathCon is able to provide interpretable explanations by identifying relations that provide the context and paths that are important for a given predicted relation.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.