Traditional clustering algorithms often struggle to capture the complex relationships within graphs and generalise to arbitrary clustering criteria. The emergence of graph neural networks (GNNs) as a powerful framework for learning representations of graph data provides new approaches to solving the problem. Previous work has shown GNNs to be capable of proposing partitionings using a variety of criteria, however, these approaches have not yet been extended to work on Markov chains or kinetic networks. These arise frequently in the study of molecular systems and are of particular interest to the biochemical modelling community. In this work, we propose several GNN-based architectures to tackle the graph partitioning problem for Markov Chains described as kinetic networks. This approach aims to minimize how much a proposed partitioning changes the Kemeny constant. We propose using an encoder-decoder architecture and show how simple GraphSAGE-based GNNs with linear layers can outperform much larger and more expressive attention-based models in this context. As a proof of concept, we first demonstrate the method's ability to cluster randomly connected graphs. We also use a linear chain architecture corresponding to a 1D free energy profile as our kinetic network. Subsequently, we demonstrate the effectiveness of our method through experiments on a data set derived from molecular dynamics. We compare the performance of our method to other partitioning techniques such as PCCA+. We explore the importance of feature and hyperparameter selection and propose a general strategy for large-scale parallel training of GNNs for discovering optimal graph partitionings.
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Understanding the generalization properties of heavy-tailed stochastic optimization algorithms has attracted increasing attention over the past years. While illuminating interesting aspects of stochastic optimizers by using heavy-tailed stochastic differential equations as proxies, prior works either provided expected generalization bounds, or introduced non-computable information theoretic terms. Addressing these drawbacks, in this work, we prove high-probability generalization bounds for heavy-tailed SDEs which do not contain any nontrivial information theoretic terms. To achieve this goal, we develop new proof techniques based on estimating the entropy flows associated with the so-called fractional Fokker-Planck equation (a partial differential equation that governs the evolution of the distribution of the corresponding heavy-tailed SDE). In addition to obtaining high-probability bounds, we show that our bounds have a better dependence on the dimension of parameters as compared to prior art. Our results further identify a phase transition phenomenon, which suggests that heavy tails can be either beneficial or harmful depending on the problem structure. We support our theory with experiments conducted in a variety of settings.
The value of text classification's future research has encountered challenges and uncertainties, due to the extraordinary efficacy demonstrated by large language models (LLMs) across numerous downstream NLP tasks. In this era of open-ended language modeling, where task boundaries are gradually fading, an urgent question emerges: have we made significant advances in text classification under the full benefit of LLMs? To answer this question, we propose RGPT, an adaptive boosting framework tailored to produce a specialized text classification LLM by recurrently ensembling a pool of strong base learners. The base learners are constructed by adaptively adjusting the distribution of training samples and iteratively fine-tuning LLMs with them. Such base learners are then ensembled to be a specialized text classification LLM, by recurrently incorporating the historical predictions from the previous learners. Through a comprehensive empirical comparison, we show that RGPT significantly outperforms 8 SOTA PLMs and 7 SOTA LLMs on four benchmarks by 1.36% on average. Further evaluation experiments show a clear surpassing of RGPT over human classification.
We introduce the framework of the left-hand side restricted promise constraint satisfaction problem, which includes problems like approximating clique number of a graph. We study the parameterized complexity of problems in this class and provide some initial results. The main technical contribution is a sufficient condition for W[1]-hardness which, in particular, covers left-hand side restricted bounded arity CSPs.
Gender-neutral translation (GNT) that avoids biased and undue binary assumptions is a pivotal challenge for the creation of more inclusive translation technologies. Advancements for this task in Machine Translation (MT), however, are hindered by the lack of dedicated parallel data, which are necessary to adapt MT systems to satisfy neutral constraints. For such a scenario, large language models offer hitherto unforeseen possibilities, as they come with the distinct advantage of being versatile in various (sub)tasks when provided with explicit instructions. In this paper, we explore this potential to automate GNT by comparing MT with the popular GPT-4 model. Through extensive manual analyses, our study empirically reveals the inherent limitations of current MT systems in generating GNTs and provides valuable insights into the potential and challenges associated with prompting for neutrality.
In order to ease the analysis of error propagation in neuromorphic computing and to get a better understanding of spiking neural networks (SNN), we address the problem of mathematical analysis of SNNs as endomorphisms that map spike trains to spike trains. A central question is the adequate structure for a space of spike trains and its implication for the design of error measurements of SNNs including time delay, threshold deviations, and the design of the reinitialization mode of the leaky-integrate-and-fire (LIF) neuron model. First we identify the underlying topology by analyzing the closure of all sub-threshold signals of a LIF model. For zero leakage this approach yields the Alexiewicz topology, which we adopt to LIF neurons with arbitrary positive leakage. As a result LIF can be understood as spike train quantization in the corresponding norm. This way we obtain various error bounds and inequalities such as a quasi isometry relation between incoming and outgoing spike trains. Another result is a Lipschitz-style global upper bound for the error propagation and a related resonance-type phenomenon.
Linear Convergence of Entropy-Regularized Natural Policy Gradient with Linear Function Approximation
Natural policy gradient (NPG) methods with entropy regularization achieve impressive empirical success in reinforcement learning problems with large state-action spaces. However, their convergence properties and the impact of entropy regularization remain elusive in the function approximation regime. In this paper, we establish finite-time convergence analyses of entropy-regularized NPG with linear function approximation under softmax parameterization. In particular, we prove that entropy-regularized NPG with averaging satisfies the \emph{persistence of excitation} condition, and achieves a fast convergence rate of $\tilde{O}(1/T)$ up to a function approximation error in regularized Markov decision processes. This convergence result does not require any a priori assumptions on the policies. Furthermore, under mild regularity conditions on the concentrability coefficient and basis vectors, we prove that entropy-regularized NPG exhibits \emph{linear convergence} up to a function approximation error.
The graph invariant EPT-sum has cropped up in several unrelated fields in later years: As an objective function for hierarchical clustering, as a more fine-grained version of the classical edge ranking problem, and, specifically when the input is a vertex-weighted tree, as a measure of average/expected search length in a partially ordered set. The EPT-sum of a graph $G$ is defined as the minimum sum of the depth of every leaf in an edge partition tree (EPT), a rooted tree where leaves correspond to vertices in $G$ and internal nodes correspond to edges in $G$. A simple algorithm that approximates EPT-sum on trees is given by recursively choosing the most balanced edge in the input tree $G$ to build an EPT of $G$. Due to its fast runtime, this balanced cut algorithm is used in practice. In this paper, we show that the balanced cut algorithm gives a 1.5-approximation of EPT-sum on trees, which amounts to a tight analysis and answers a question posed by Cicalese et al. in 2014.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
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