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Artificial neural networks have been shown to be state-of-the-art machine learning models in a wide variety of applications, including natural language processing and image recognition. However, building a performant neural network is a laborious task and requires substantial computing power. Neural Architecture Search (NAS) addresses this issue by an automatic selection of the optimal network from a set of potential candidates. While many NAS methods still require training of (some) neural networks, zero-cost proxies promise to identify the optimal network without training. In this work, we propose the zero-cost proxy Network Expressivity by Activation Rank (NEAR). It is based on the effective rank of the pre- and post-activation matrix, i.e., the values of a neural network layer before and after applying its activation function. We demonstrate the cutting-edge correlation between this network score and the model accuracy on NAS-Bench-101 and NATS-Bench-SSS/TSS. In addition, we present a simple approach to estimate the optimal layer sizes in multi-layer perceptrons. Furthermore, we show that this score can be utilized to select hyperparameters such as the activation function and the neural network weight initialization scheme.

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Multimodal learning plays a crucial role in enabling machine learning models to fuse and utilize diverse data sources, such as text, images, and audio, to support a variety of downstream tasks. A unified representation across various modalities is particularly important for improving efficiency and performance. Recent binding methods, such as ImageBind (Girdhar et al., 2023), typically use a fixed anchor modality to align multimodal data in the anchor modal embedding space. In this paper, we mathematically analyze the fixed anchor binding methods and uncover notable limitations: (1) over-reliance on the choice of the anchor modality, (2) failure to capture intra-modal information, and (3) failure to account for inter-modal correlation among non-anchored modalities. To address these limitations, we propose CentroBind, a simple yet powerful approach that eliminates the need for a fixed anchor; instead, it employs dynamically adjustable centroid-based anchors generated from all available modalities, resulting in a balanced and rich representation space. We theoretically demonstrate that our method captures three crucial properties of multimodal learning: intra-modal learning, inter-modal learning, and multimodal alignment, while also constructing a robust unified representation across all modalities. Our experiments on both synthetic and real-world datasets demonstrate the superiority of the proposed method, showing that dynamic anchor methods outperform all fixed anchor binding methods as the former captures more nuanced multimodal interactions.

A fundamental question in interpretability research is to what extent neural networks, particularly language models, implement reusable functions via subnetworks that can be composed to perform more complex tasks. Recent developments in mechanistic interpretability have made progress in identifying subnetworks, often referred to as circuits, which represent the minimal computational subgraph responsible for a model's behavior on specific tasks. However, most studies focus on identifying circuits for individual tasks without investigating how functionally similar circuits relate to each other. To address this gap, we examine the modularity of neural networks by analyzing circuits for highly compositional subtasks within a transformer-based language model. Specifically, given a probabilistic context-free grammar, we identify and compare circuits responsible for ten modular string-edit operations. Our results indicate that functionally similar circuits exhibit both notable node overlap and cross-task faithfulness. Moreover, we demonstrate that the circuits identified can be reused and combined through subnetwork set operations to represent more complex functional capabilities of the model.

Data augmentation is crucial to make machine learning models more robust and safe. However, augmenting data can be challenging as it requires generating diverse data points to rigorously evaluate model behavior on edge cases and mitigate potential harms. Creating high-quality augmentations that cover these "unknown unknowns" is a time- and creativity-intensive task. In this work, we introduce Amplio, an interactive tool to help practitioners navigate "unknown unknowns" in unstructured text datasets and improve data diversity by systematically identifying empty data spaces to explore. Amplio includes three human-in-the-loop data augmentation techniques: Augment With Concepts, Augment by Interpolation, and Augment with Large Language Model. In a user study with 18 professional red teamers, we demonstrate the utility of our augmentation methods in helping generate high-quality, diverse, and relevant model safety prompts. We find that Amplio enabled red teamers to augment data quickly and creatively, highlighting the transformative potential of interactive augmentation workflows.

While existing federated learning approaches primarily focus on aggregating local models to construct a global model, in realistic settings, some clients may be reluctant to share their private models due to the inclusion of privacy-sensitive information. Knowledge distillation, which can extract model knowledge without accessing model parameters, is well-suited for this federated scenario. However, most distillation methods in federated learning (federated distillation) require a proxy dataset, which is difficult to obtain in the real world. Therefore, in this paper, we introduce a distributed three-player Generative Adversarial Network (GAN) to implement data-free mutual distillation and propose an effective method called FedDTG. We confirmed that the fake samples generated by GAN can make federated distillation more efficient and robust. Additionally, the distillation process between clients can deliver good individual client performance while simultaneously acquiring global knowledge and protecting data privacy. Our extensive experiments on benchmark vision datasets demonstrate that our method outperforms other federated distillation algorithms in terms of generalization.

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power. Early works in this domain mainly focus on studying the graph isomorphism recognition ability of GNNs, and recent works try to leverage the properties such as subgraph counting and connectivity learning to characterize the expressive power of GNNs, which are more practical and closer to real-world. However, no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a first survey for models for enhancing expressive power under different forms of definition. Concretely, the models are reviewed based on three categories, i.e., Graph feature enhancement, Graph topology enhancement, and GNNs architecture enhancement.

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from fully being explored in the field of physics-informed machine learning. We believe that this study will encourage researchers in the machine learning community to actively participate in the interdisciplinary research of physics-informed machine learning.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.

The incredible development of federated learning (FL) has benefited various tasks in the domains of computer vision and natural language processing, and the existing frameworks such as TFF and FATE has made the deployment easy in real-world applications. However, federated graph learning (FGL), even though graph data are prevalent, has not been well supported due to its unique characteristics and requirements. The lack of FGL-related framework increases the efforts for accomplishing reproducible research and deploying in real-world applications. Motivated by such strong demand, in this paper, we first discuss the challenges in creating an easy-to-use FGL package and accordingly present our implemented package FederatedScope-GNN (FS-G), which provides (1) a unified view for modularizing and expressing FGL algorithms; (2) comprehensive DataZoo and ModelZoo for out-of-the-box FGL capability; (3) an efficient model auto-tuning component; and (4) off-the-shelf privacy attack and defense abilities. We validate the effectiveness of FS-G by conducting extensive experiments, which simultaneously gains many valuable insights about FGL for the community. Moreover, we employ FS-G to serve the FGL application in real-world E-commerce scenarios, where the attained improvements indicate great potential business benefits. We publicly release FS-G, as submodules of FederatedScope, at //github.com/alibaba/FederatedScope to promote FGL's research and enable broad applications that would otherwise be infeasible due to the lack of a dedicated package.

There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.

Exploration-exploitation is a powerful and practical tool in multi-agent learning (MAL), however, its effects are far from understood. To make progress in this direction, we study a smooth analogue of Q-learning. We start by showing that our learning model has strong theoretical justification as an optimal model for studying exploration-exploitation. Specifically, we prove that smooth Q-learning has bounded regret in arbitrary games for a cost model that explicitly captures the balance between game and exploration costs and that it always converges to the set of quantal-response equilibria (QRE), the standard solution concept for games under bounded rationality, in weighted potential games with heterogeneous learning agents. In our main task, we then turn to measure the effect of exploration in collective system performance. We characterize the geometry of the QRE surface in low-dimensional MAL systems and link our findings with catastrophe (bifurcation) theory. In particular, as the exploration hyperparameter evolves over-time, the system undergoes phase transitions where the number and stability of equilibria can change radically given an infinitesimal change to the exploration parameter. Based on this, we provide a formal theoretical treatment of how tuning the exploration parameter can provably lead to equilibrium selection with both positive as well as negative (and potentially unbounded) effects to system performance.

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