Zeoformer: Coarse-Grained Periodic Graph Transformer for OSDA-Zeolite Affinity Prediction

To date, the International Zeolite Association Structure Commission (IZA-SC) has cataloged merely 255 distinct zeolite structures, with millions of theoretically possible structures yet to be discovered. The synthesis of a specific zeolite typically necessitates the use of an organic structure-directing agent (OSDA), since the selectivity for a particular zeolite is largely determined by the affinity between the OSDA and the zeolite. Therefore, finding the best affinity OSDA-zeolite pair is the key to the synthesis of targeted zeolite. However, OSDA-zeolite pairs frequently exhibit complex geometric structures, i.e., a complex crystal structure formed by a large number of atoms. Although some existing machine learning methods can represent the periodicity of crystals, they cannot accurately represent crystal structures with local variability. To address this issue, we propose a novel approach called Zeoformer, which can effectively represent coarse-grained crystal periodicity and fine-grained local variability. Zeoformer reconstructs the unit cell centered around each atom and encodes the pairwise distances between this central atom and other atoms within the reconstructed unit cell. The introduction of pairwise distances within the reconstructed unit cell more effectively represents the overall structure of the unit cell and the differences between different unit cells, enabling the model to more accurately and efficiently predict the properties of OSDA-zeolite pairs and general crystal structures. Through comprehensive evaluation, our Zeoformer model demonstrates the best performance on OSDA-zeolite pair datasets and two types of crystal material datasets.

SBDet: A Symmetry-Breaking Object Detector via Relaxed Rotation-Equivariance

Introducing Group Equivariant Convolution (GConv) empowers models to explore symmetries hidden in visual data, improving their performance. However, in real-world scenarios, objects or scenes often exhibit perturbations of a symmetric system, specifically a deviation from a symmetric architecture, which can be characterized by a non-trivial action of a symmetry group, known as Symmetry-Breaking. Traditional GConv methods are limited by the strict operation rules in the group space, only ensuring features remain strictly equivariant under limited group transformations, making it difficult to adapt to Symmetry-Breaking or non-rigid transformations. Motivated by this, we introduce a novel Relaxed Rotation GConv (R2GConv) with our defined Relaxed Rotation-Equivariant group $\mathbf{R}_4$. Furthermore, we propose a Relaxed Rotation-Equivariant Network (R2Net) as the backbone and further develop the Symmetry-Breaking Object Detector (SBDet) for 2D object detection built upon it. Experiments demonstrate the effectiveness of our proposed R2GConv in natural image classification tasks, and SBDet achieves excellent performance in object detection tasks with improved generalization capabilities and robustness.

When Foresight Pruning Meets Zeroth-Order Optimization: Efficient Federated Learning for Low-Memory Devices

Although Federated Learning (FL) enables collaborative learning in Artificial Intelligence of Things (AIoT) design, it fails to work on low-memory AIoT devices due to its heavy memory usage. To address this problem, various federated pruning methods are proposed to reduce memory usage during inference. However, few of them can substantially mitigate the memory burdens during pruning and training. As an alternative, zeroth-order or backpropagation-free (BP-Free) methods can partially alleviate the memory consumption, but they suffer from scaling up and large computation overheads, since the gradient estimation error and floating point operations (FLOPs) increase as the dimensionality of the model parameters grows. In this paper, we propose a federated foresight pruning method based on Neural Tangent Kernel (NTK), which can seamlessly integrate with federated BP-Free training frameworks. We present an approximation to the computation of federated NTK by using the local NTK matrices. Moreover, we demonstrate that the data-free property of our method can substantially reduce the approximation error in extreme data heterogeneity scenarios. Since our approach improves the performance of the vanilla BP-Free method with fewer FLOPs and truly alleviates memory pressure during training and inference, it makes FL more friendly to low-memory devices. Comprehensive experimental results obtained from simulation- and real test-bed-based platforms show that our federated foresight-pruning method not only preserves the ability of the dense model with a memory reduction up to 9x but also boosts the performance of the vanilla BP-Free method with dramatically fewer FLOPs.

KoReA-SFL: Knowledge Replay-based Split Federated Learning Against Catastrophic Forgetting

Although Split Federated Learning (SFL) is good at enabling knowledge sharing among resource-constrained clients, it suffers from the problem of low training accuracy due to the neglect of data heterogeneity and catastrophic forgetting. To address this issue, we propose a novel SFL approach named KoReA-SFL, which adopts a multi-model aggregation mechanism to alleviate gradient divergence caused by heterogeneous data and a knowledge replay strategy to deal with catastrophic forgetting. Specifically, in KoReA-SFL cloud servers (i.e., fed server and main server) maintain multiple branch model portions rather than a global portion for local training and an aggregated master-model portion for knowledge sharing among branch portions. To avoid catastrophic forgetting, the main server of KoReA-SFL selects multiple assistant devices for knowledge replay according to the training data distribution of each server-side branch-model portion. Experimental results obtained from non-IID and IID scenarios demonstrate that KoReA-SFL significantly outperforms conventional SFL methods (by up to 23.25\% test accuracy improvement).

CaBaFL: Asynchronous Federated Learning via Hierarchical Cache and Feature Balance

Federated Learning (FL) as a promising distributed machine learning paradigm has been widely adopted in Artificial Intelligence of Things (AIoT) applications. However, the efficiency and inference capability of FL is seriously limited due to the presence of stragglers and data imbalance across massive AIoT devices, respectively. To address the above challenges, we present a novel asynchronous FL approach named CaBaFL, which includes a hierarchical Cache-based aggregation mechanism and a feature Balance-guided device selection strategy. CaBaFL maintains multiple intermediate models simultaneously for local training. The hierarchical cache-based aggregation mechanism enables each intermediate model to be trained on multiple devices to align the training time and mitigate the straggler issue. In specific, each intermediate model is stored in a low-level cache for local training and when it is trained by sufficient local devices, it will be stored in a high-level cache for aggregation. To address the problem of imbalanced data, the feature balance-guided device selection strategy in CaBaFL adopts the activation distribution as a metric, which enables each intermediate model to be trained across devices with totally balanced data distributions before aggregation. Experimental results show that compared with the state-of-the-art FL methods, CaBaFL achieves up to 9.26X training acceleration and 19.71\% accuracy improvements.

Personalized Federated Instruction Tuning via Neural Architecture Search

Federated Instruction Tuning (FIT) has shown the ability to achieve collaborative model instruction tuning among massive data owners without sharing private data. However, it still faces two key challenges, i.e., data and resource heterogeneity. Due to the varying data distribution and preferences among data owners, FIT cannot adapt to the personalized data of individual owners. Moreover, clients with superior computational abilities are constrained since they need to maintain the same fine-tuning architecture as the weaker clients. To address these issues, we propose a novel Personalized Federated Instruction Tuning (PerFIT) framework based on architecture search. Specifically, PerFIT allows each client to search for a personalized architecture by expanding the trainable parameter space of the global model followed by pruning the parameters to the original state. This procedure allows personalized instruction fine-tuning within expanded parameter spaces, concurrently preserving the same number of trainable parameters. Furthermore, to release the abilities of heterogeneous computational resources and enhance the performance of personalization on local data, we exploit personalized parameter-wise aggregation. The evaluation with multiple LLMs non-IID scenarios demonstrates that compared to the state-of-the-art FIT methods, our approach can achieve up to a 23% decrease in perplexity.

Situation-Dependent Causal Influence-Based Cooperative Multi-agent Reinforcement Learning

Learning to collaborate has witnessed significant progress in multi-agent reinforcement learning (MARL). However, promoting coordination among agents and enhancing exploration capabilities remain challenges. In multi-agent environments, interactions between agents are limited in specific situations. Effective collaboration between agents thus requires a nuanced understanding of when and how agents' actions influence others. To this end, in this paper, we propose a novel MARL algorithm named Situation-Dependent Causal Influence-Based Cooperative Multi-agent Reinforcement Learning (SCIC), which incorporates a novel Intrinsic reward mechanism based on a new cooperation criterion measured by situation-dependent causal influence among agents. Our approach aims to detect inter-agent causal influences in specific situations based on the criterion using causal intervention and conditional mutual information. This effectively assists agents in exploring states that can positively impact other agents, thus promoting cooperation between agents. The resulting update links coordinated exploration and intrinsic reward distribution, which enhance overall collaboration and performance. Experimental results on various MARL benchmarks demonstrate the superiority of our method compared to state-of-the-art approaches.

AdapterFL: Adaptive Heterogeneous Federated Learning for Resource-constrained Mobile Computing Systems

Federated Learning (FL) enables collaborative learning of large-scale distributed clients without data sharing. However, due to the disparity of computing resources among massive mobile computing devices, the performance of traditional homogeneous model-based Federated Learning (FL) is seriously limited. On the one hand, to achieve model training in all the diverse clients, mobile computing systems can only use small low-performance models for collaborative learning. On the other hand, devices with high computing resources cannot train a high-performance large model with their insufficient raw data. To address the resource-constrained problem in mobile computing systems, we present a novel heterogeneous FL approach named AdapterFL, which uses a model reassemble strategy to facilitate collaborative training of massive heterogeneous mobile devices adaptively. Specifically, we select multiple candidate heterogeneous models based on the computing performance of massive mobile devices and then divide each heterogeneous model into two partitions. By reassembling the partitions, we can generate models with varied sizes that are combined by the partial parameters of the large model with the partial parameters of the small model. Using these reassembled models for FL training, we can train the partial parameters of the large model using low-performance devices. In this way, we can alleviate performance degradation in large models due to resource constraints. The experimental results show that AdapterFL can achieve up to 12\% accuracy improvement compared to the state-of-the-art heterogeneous federated learning methods in resource-constrained scenarios.

Have Your Cake and Eat It Too: Toward Efficient and Accurate Split Federated Learning

Due to its advantages in resource constraint scenarios, Split Federated Learning (SFL) is promising in AIoT systems. However, due to data heterogeneity and stragglers, SFL suffers from the challenges of low inference accuracy and low efficiency. To address these issues, this paper presents a novel SFL approach, named Sliding Split Federated Learning (S$^2$FL), which adopts an adaptive sliding model split strategy and a data balance-based training mechanism. By dynamically dispatching different model portions to AIoT devices according to their computing capability, S$^2$FL can alleviate the low training efficiency caused by stragglers. By combining features uploaded by devices with different data distributions to generate multiple larger batches with a uniform distribution for back-propagation, S$^2$FL can alleviate the performance degradation caused by data heterogeneity. Experimental results demonstrate that, compared to conventional SFL, S$^2$FL can achieve up to 16.5\% inference accuracy improvement and 3.54X training acceleration.

AdaptiveFL: Adaptive Heterogeneous Federated Learning for Resource-Constrained AIoT Systems

Although Federated Learning (FL) is promising to enable collaborative learning among Artificial Intelligence of Things (AIoT) devices, it suffers from the problem of low classification performance due to various heterogeneity factors (e.g., computing capacity, memory size) of devices and uncertain operating environments. To address these issues, this paper introduces an effective FL approach named AdaptiveFL based on a novel fine-grained width-wise model pruning strategy, which can generate various heterogeneous local models for heterogeneous AIoT devices. By using our proposed reinforcement learning-based device selection mechanism, AdaptiveFL can adaptively dispatch suitable heterogeneous models to corresponding AIoT devices on the fly based on their available resources for local training. Experimental results show that, compared to state-of-the-art methods, AdaptiveFL can achieve up to 16.83% inference improvements for both IID and non-IID scenarios.