Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these approaches encode, as well as performance trade-offs between them. However, the question of which structural properties yield the most effective encoding remains open. In this paper, we investigate this question from a geometric perspective. We propose a novel structural encoding based on discrete Ricci curvature (Local Curvature Profiles, short LCP) and show that it significantly outperforms existing encoding approaches. We further show that combining local structural encodings, such as LCP, with global positional encodings improves downstream performance, suggesting that they capture complementary geometric information. Finally, we compare different encoding types with (curvature-based) rewiring techniques. Rewiring has recently received a surge of interest due to its ability to improve the performance of Graph Neural Networks by mitigating over-smoothing and over-squashing effects. Our results suggest that utilizing curvature information for structural encodings delivers significantly larger performance increases than rewiring.
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Optimization Modulo Theories (OMT) has emerged as an important extension of the highly successful Satisfiability Modulo Theories (SMT) paradigm. The OMT problem requires solving an SMT problem with the restriction that the solution must be optimal with respect to a given objective function. We introduce a generalization of the OMT problem where, in particular, objective functions can range over partially ordered sets. We provide a formalization of and an abstract calculus for the generalized OMT problem and prove their key correctness properties. Generalized OMT extends previous work on OMT in several ways. First, in contrast to many current OMT solvers, our calculus is theory-agnostic, enabling the optimization of queries over any theories or combinations thereof. Second, our formalization unifies both single- and multi-objective optimization problems, allowing us to study them both in a single framework and facilitating the use of objective functions that are not supported by existing OMT approaches. Finally, our calculus is sufficiently general to fully capture a wide variety of current OMT approaches (each of which can be realized as a specific strategy for rule application in the calculus) and to support the exploration of new search strategies. Much like the original abstract DPLL(T) calculus for SMT, our Generalized OMT calculus is designed to establish a theoretical foundation for understanding and research and to serve as a framework for studying variations of and extensions to existing OMT methodologies.
Large Language Models (LLMs) have attracted extensive attention due to their remarkable performance across various tasks. However, the substantial computational and memory requirements of LLM inference pose challenges for deployment in resource-constrained scenarios. Efforts within the field have been directed towards developing techniques aimed at enhancing the efficiency of LLM inference. This paper presents a comprehensive survey of the existing literature on efficient LLM inference. We start by analyzing the primary causes of the inefficient LLM inference, i.e., the large model size, the quadratic-complexity attention operation, and the auto-regressive decoding approach. Then, we introduce a comprehensive taxonomy that organizes the current literature into data-level, model-level, and system-level optimization. Moreover, the paper includes comparative experiments on representative methods within critical sub-fields to provide quantitative insights. Last but not least, we provide some knowledge summary and discuss future research directions.
Accurate uncertainty estimates are important in sequential model-based decision-making tasks such as Bayesian optimization. However, these estimates can be imperfect if the data violates assumptions made by the model (e.g., Gaussianity). This paper studies which uncertainties are needed in model-based decision-making and in Bayesian optimization, and argues that uncertainties can benefit from calibration -- i.e., an 80% predictive interval should contain the true outcome 80% of the time. Maintaining calibration, however, can be challenging when the data is non-stationary and depends on our actions. We propose using simple algorithms based on online learning to provably maintain calibration on non-i.i.d. data, and we show how to integrate these algorithms in Bayesian optimization with minimal overhead. Empirically, we find that calibrated Bayesian optimization converges to better optima in fewer steps, and we demonstrate improved performance on standard benchmark functions and hyperparameter optimization tasks.
Temperature plays a pivotal role in moderating label softness in the realm of knowledge distillation (KD). Traditional approaches often employ a static temperature throughout the KD process, which fails to address the nuanced complexities of samples with varying levels of difficulty and overlooks the distinct capabilities of different teacher-student pairings. This leads to a less-than-ideal transfer of knowledge. To improve the process of knowledge propagation, we proposed Dynamic Temperature Knowledge Distillation (DTKD) which introduces a dynamic, cooperative temperature control for both teacher and student models simultaneously within each training iterafion. In particular, we proposed "\textbf{sharpness}" as a metric to quantify the smoothness of a model's output distribution. By minimizing the sharpness difference between the teacher and the student, we can derive sample-specific temperatures for them respectively. Extensive experiments on CIFAR-100 and ImageNet-2012 demonstrate that DTKD performs comparably to leading KD techniques, with added robustness in Target Class KD and None-target Class KD scenarios.The code is available at //github.com/JinYu1998/DTKD.
Large Language Models (LLMs) demonstrate impressive performance in various downstream tasks. However, they may still generate incorrect responses in certain scenarios due to the knowledge deficiencies and the flawed pre-training data. Continual Learning (CL) is a commonly used method to address this issue. Traditional CL is task-oriented, using novel or factually accurate data to retrain LLMs from scratch. However, this method requires more task-related training data and incurs expensive training costs. To address this challenge, we propose the Continue Evolving from Mistakes (CEM) method, inspired by the 'summarize mistakes' learning skill, to achieve iterative refinement of LLMs. Specifically, the incorrect responses of LLMs indicate knowledge deficiencies related to the questions. Therefore, we collect corpora with these knowledge from multiple data sources and follow it up with iterative supplementary training for continuous, targeted knowledge updating and supplementation. Meanwhile, we developed two strategies to construct supplementary training sets to enhance the LLM's understanding of the corpus and prevent catastrophic forgetting. We conducted extensive experiments to validate the effectiveness of this CL method. In the best case, our method resulted in a 17.00\% improvement in the accuracy of the LLM.
Multimodal Large Language Model (MLLM) recently has been a new rising research hotspot, which uses powerful Large Language Models (LLMs) as a brain to perform multimodal tasks. The surprising emergent capabilities of MLLM, such as writing stories based on images and OCR-free math reasoning, are rare in traditional methods, suggesting a potential path to artificial general intelligence. In this paper, we aim to trace and summarize the recent progress of MLLM. First of all, we present the formulation of MLLM and delineate its related concepts. Then, we discuss the key techniques and applications, including Multimodal Instruction Tuning (M-IT), Multimodal In-Context Learning (M-ICL), Multimodal Chain of Thought (M-CoT), and LLM-Aided Visual Reasoning (LAVR). Finally, we discuss existing challenges and point out promising research directions. In light of the fact that the era of MLLM has only just begun, we will keep updating this survey and hope it can inspire more research. An associated GitHub link collecting the latest papers is available at //github.com/BradyFU/Awesome-Multimodal-Large-Language-Models.
Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays an important role in graph classification. In this paper, we innovatively propose hierarchical graph capsule network (HGCN) that can jointly learn node embeddings and extract graph hierarchies. Specifically, disentangled graph capsules are established by identifying heterogeneous factors underlying each node, such that their instantiation parameters represent different properties of the same entity. To learn the hierarchical representation, HGCN characterizes the part-whole relationship between lower-level capsules (part) and higher-level capsules (whole) by explicitly considering the structure information among the parts. Experimental studies demonstrate the effectiveness of HGCN and the contribution of each component.
Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.
Label Propagation (LPA) and Graph Convolutional Neural Networks (GCN) are both message passing algorithms on graphs. Both solve the task of node classification but LPA propagates node label information across the edges of the graph, while GCN propagates and transforms node feature information. However, while conceptually similar, theoretical relation between LPA and GCN has not yet been investigated. Here we study the relationship between LPA and GCN in terms of two aspects: (1) feature/label smoothing where we analyze how the feature/label of one node is spread over its neighbors; And, (2) feature/label influence of how much the initial feature/label of one node influences the final feature/label of another node. Based on our theoretical analysis, we propose an end-to-end model that unifies GCN and LPA for node classification. In our unified model, edge weights are learnable, and the LPA serves as regularization to assist the GCN in learning proper edge weights that lead to improved classification performance. Our model can also be seen as learning attention weights based on node labels, which is more task-oriented than existing feature-based attention models. In a number of experiments on real-world graphs, our model shows superiority over state-of-the-art GCN-based methods in terms of node classification accuracy.
We introduce an effective model to overcome the problem of mode collapse when training Generative Adversarial Networks (GAN). Firstly, we propose a new generator objective that finds it better to tackle mode collapse. And, we apply an independent Autoencoders (AE) to constrain the generator and consider its reconstructed samples as "real" samples to slow down the convergence of discriminator that enables to reduce the gradient vanishing problem and stabilize the model. Secondly, from mappings between latent and data spaces provided by AE, we further regularize AE by the relative distance between the latent and data samples to explicitly prevent the generator falling into mode collapse setting. This idea comes when we find a new way to visualize the mode collapse on MNIST dataset. To the best of our knowledge, our method is the first to propose and apply successfully the relative distance of latent and data samples for stabilizing GAN. Thirdly, our proposed model, namely Generative Adversarial Autoencoder Networks (GAAN), is stable and has suffered from neither gradient vanishing nor mode collapse issues, as empirically demonstrated on synthetic, MNIST, MNIST-1K, CelebA and CIFAR-10 datasets. Experimental results show that our method can approximate well multi-modal distribution and achieve better results than state-of-the-art methods on these benchmark datasets. Our model implementation is published here: //github.com/tntrung/gaan
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