Accelerating Data Generation for Neural Operators via Krylov Subspace Recycling

Learning neural operators for solving partial differential equations (PDEs) has attracted great attention due to its high inference efficiency. However, training such operators requires generating a substantial amount of labeled data, i.e., PDE problems together with their solutions. The data generation process is exceptionally time-consuming, as it involves solving numerous systems of linear equations to obtain numerical solutions to the PDEs. Many existing methods solve these systems independently without considering their inherent similarities, resulting in extremely redundant computations. To tackle this problem, we propose a novel method, namely Sorting Krylov Recycling (SKR), to boost the efficiency of solving these systems, thus significantly accelerating data generation for neural operators training. To the best of our knowledge, SKR is the first attempt to address the time-consuming nature of data generation for learning neural operators. The working horse of SKR is Krylov subspace recycling, a powerful technique for solving a series of interrelated systems by leveraging their inherent similarities. Specifically, SKR employs a sorting algorithm to arrange these systems in a sequence, where adjacent systems exhibit high similarities. Then it equips a solver with Krylov subspace recycling to solve the systems sequentially instead of independently, thus effectively enhancing the solving efficiency. Both theoretical analysis and extensive experiments demonstrate that SKR can significantly accelerate neural operator data generation, achieving a remarkable speedup of up to 13.9 times.

Harmonizing Covariance and Expressiveness for Deep Hamiltonian Regression in Crystalline Material Research: a Hybrid Cascaded Regression Framework

Deep learning for Hamiltonian regression of quantum systems in material research necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the expressiveness capability of networks remains an elusive challenge due to the restriction to non-linear mappings on guaranteeing theoretical equivariance. To alleviate the covariance-expressiveness dilemma, we propose a hybrid framework with two cascaded regression stages. The first stage, i.e., a theoretically-guaranteed covariant neural network modeling symmetry properties of 3D atom systems, predicts baseline Hamiltonians with theoretically covariant features extracted, assisting the second stage in learning covariance. Meanwhile, the second stage, powered by a non-linear 3D graph Transformer network we propose for structural modeling of atomic systems, refines the first stage's output as a fine-grained prediction of Hamiltonians with better expressiveness capability. The combination of a theoretically covariant yet inevitably less expressive model with a highly expressive non-linear network enables precise, generalizable predictions while maintaining robust covariance under coordinate transformations. Our method achieves state-of-the-art performance in Hamiltonian prediction for electronic structure calculations, confirmed through experiments on six crystalline material databases. The codes and configuration scripts are available in the supplementary material.

Graph Relation Distillation for Efficient Biomedical Instance Segmentation

Instance-aware embeddings predicted by deep neural networks have revolutionized biomedical instance segmentation, but its resource requirements are substantial. Knowledge distillation offers a solution by transferring distilled knowledge from heavy teacher networks to lightweight yet high-performance student networks. However, existing knowledge distillation methods struggle to extract knowledge for distinguishing instances and overlook global relation information. To address these challenges, we propose a graph relation distillation approach for efficient biomedical instance segmentation, which considers three essential types of knowledge: instance-level features, instance relations, and pixel-level boundaries. We introduce two graph distillation schemes deployed at both the intra-image level and the inter-image level: instance graph distillation (IGD) and affinity graph distillation (AGD). IGD constructs a graph representing instance features and relations, transferring these two types of knowledge by enforcing instance graph consistency. AGD constructs an affinity graph representing pixel relations to capture structured knowledge of instance boundaries, transferring boundary-related knowledge by ensuring pixel affinity consistency. Experimental results on a number of biomedical datasets validate the effectiveness of our approach, enabling student models with less than $ 1\%$ parameters and less than $10\%$ inference time while achieving promising performance compared to teacher models.

Learning Multimodal Volumetric Features for Large-Scale Neuron Tracing

The current neuron reconstruction pipeline for electron microscopy (EM) data usually includes automatic image segmentation followed by extensive human expert proofreading. In this work, we aim to reduce human workload by predicting connectivity between over-segmented neuron pieces, taking both microscopy image and 3D morphology features into account, similar to human proofreading workflow. To this end, we first construct a dataset, named FlyTracing, that contains millions of pairwise connections of segments expanding the whole fly brain, which is three orders of magnitude larger than existing datasets for neuron segment connection. To learn sophisticated biological imaging features from the connectivity annotations, we propose a novel connectivity-aware contrastive learning method to generate dense volumetric EM image embedding. The learned embeddings can be easily incorporated with any point or voxel-based morphological representations for automatic neuron tracing. Extensive comparisons of different combination schemes of image and morphological representation in identifying split errors across the whole fly brain demonstrate the superiority of the proposed approach, especially for the locations that contain severe imaging artifacts, such as section missing and misalignment. The dataset and code are available at https://github.com/Levishery/Flywire-Neuron-Tracing.

Towards Decentralized Task Offloading and Resource Allocation in User-Centric Mobile Edge Computing

In the traditional cellular-based mobile edge computing (MEC), users at the edge of the cell are prone to suffer severe inter-cell interference and signal attenuation, leading to low throughput even transmission interruptions. Such edge effect severely obstructs offloading of tasks to MEC servers. To address this issue, we propose user-centric mobile edge computing (UCMEC), a novel MEC architecture integrating user-centric transmission, which can ensure high throughput and reliable communication for task offloading. Then, we formulate an optimization problem with joint consideration of task offloading, power control, and computing resource allocation in UCMEC, aiming at obtaining the optimal performance in terms of long-term average total delay. To solve the intractable problem, we propose two decentralized joint optimization schemes based on multi-agent deep reinforcement learning (MADRL) and convex optimization, which consider both cooperation and non-cooperation among network nodes. Simulation results demonstrate that the proposed schemes in UCMEC can significantly improve the uplink transmission rate by at most 343.56% and reduce the long-term average total delay by at most 45.57% compared to traditional cellular-based MEC.

State Sequences Prediction via Fourier Transform for Representation Learning

While deep reinforcement learning (RL) has been demonstrated effective in solving complex control tasks, sample efficiency remains a key challenge due to the large amounts of data required for remarkable performance. Existing research explores the application of representation learning for data-efficient RL, e.g., learning predictive representations by predicting long-term future states. However, many existing methods do not fully exploit the structural information inherent in sequential state signals, which can potentially improve the quality of long-term decision-making but is difficult to discern in the time domain. To tackle this problem, we propose State Sequences Prediction via Fourier Transform (SPF), a novel method that exploits the frequency domain of state sequences to extract the underlying patterns in time series data for learning expressive representations efficiently. Specifically, we theoretically analyze the existence of structural information in state sequences, which is closely related to policy performance and signal regularity, and then propose to predict the Fourier transform of infinite-step future state sequences to extract such information. One of the appealing features of SPF is that it is simple to implement while not requiring storage of infinite-step future states as prediction targets. Experiments demonstrate that the proposed method outperforms several state-of-the-art algorithms in terms of both sample efficiency and performance.

Promoting Generalization for Exact Solvers via Adversarial Instance Augmentation

Machine learning has been successfully applied to improve the efficiency of Mixed-Integer Linear Programming (MILP) solvers. However, the learning-based solvers often suffer from severe performance degradation on unseen MILP instances -- especially on large-scale instances from a perturbed environment -- due to the limited diversity of training distributions. To tackle this problem, we propose a novel approach, which is called Adversarial Instance Augmentation and does not require to know the problem type for new instance generation, to promote data diversity for learning-based branching modules in the branch-and-bound (B&B) Solvers (AdaSolver). We use the bipartite graph representations for MILP instances and obtain various perturbed instances to regularize the solver by augmenting the graph structures with a learned augmentation policy. The major technical contribution of AdaSolver is that we formulate the non-differentiable instance augmentation as a contextual bandit problem and adversarially train the learning-based solver and augmentation policy, enabling efficient gradient-based training of the augmentation policy. To the best of our knowledge, AdaSolver is the first general and effective framework for understanding and improving the generalization of both imitation-learning-based (IL-based) and reinforcement-learning-based (RL-based) B&B solvers. Extensive experiments demonstrate that by producing various augmented instances, AdaSolver leads to a remarkable efficiency improvement across various distributions.

Accelerate Presolve in Large-Scale Linear Programming via Reinforcement Learning

Large-scale LP problems from industry usually contain much redundancy that severely hurts the efficiency and reliability of solving LPs, making presolve (i.e., the problem simplification module) one of the most critical components in modern LP solvers. However, how to design high-quality presolve routines -- that is, the program determining (P1) which presolvers to select, (P2) in what order to execute, and (P3) when to stop -- remains a highly challenging task due to the extensive requirements on expert knowledge and the large search space. Due to the sequential decision property of the task and the lack of expert demonstrations, we propose a simple and efficient reinforcement learning (RL) framework -- namely, reinforcement learning for presolve (RL4Presolve) -- to tackle (P1)-(P3) simultaneously. Specifically, we formulate the routine design task as a Markov decision process and propose an RL framework with adaptive action sequences to generate high-quality presolve routines efficiently. Note that adaptive action sequences help learn complex behaviors efficiently and adapt to various benchmarks. Experiments on two solvers (open-source and commercial) and eight benchmarks (real-world and synthetic) demonstrate that RL4Presolve significantly and consistently improves the efficiency of solving large-scale LPs, especially on benchmarks from industry. Furthermore, we optimize the hard-coded presolve routines in LP solvers by extracting rules from learned policies for simple and efficient deployment to Huawei's supply chain. The results show encouraging economic and academic potential for incorporating machine learning to modern solvers.

A Deep Instance Generative Framework for MILP Solvers Under Limited Data Availability

In the past few years, there has been an explosive surge in the use of machine learning (ML) techniques to address combinatorial optimization (CO) problems, especially mixed-integer linear programs (MILPs). Despite the achievements, the limited availability of real-world instances often leads to sub-optimal decisions and biased solver assessments, which motivates a suite of synthetic MILP instance generation techniques. However, existing methods either rely heavily on expert-designed formulations or struggle to capture the rich features of real-world instances. To tackle this problem, we propose G2MILP, which to the best of our knowledge is the first deep generative framework for MILP instances. Specifically, G2MILP represents MILP instances as bipartite graphs, and applies a masked variational autoencoder to iteratively corrupt and replace parts of the original graphs to generate new ones. The appealing feature of G2MILP is that it can learn to generate novel and realistic MILP instances without prior expert-designed formulations, while preserving the structures and computational hardness of real-world datasets, simultaneously. Thus the generated instances can facilitate downstream tasks for enhancing MILP solvers under limited data availability. We design a suite of benchmarks to evaluate the quality of the generated MILP instances. Experiments demonstrate that our method can produce instances that closely resemble real-world datasets in terms of both structures and computational hardness.

GET: Group Event Transformer for Event-Based Vision

Event cameras are a type of novel neuromorphic sen-sor that has been gaining increasing attention. Existing event-based backbones mainly rely on image-based designs to extract spatial information within the image transformed from events, overlooking important event properties like time and polarity. To address this issue, we propose a novel Group-based vision Transformer backbone for Event-based vision, called Group Event Transformer (GET), which de-couples temporal-polarity information from spatial infor-mation throughout the feature extraction process. Specifi-cally, we first propose a new event representation for GET, named Group Token, which groups asynchronous events based on their timestamps and polarities. Then, GET ap-plies the Event Dual Self-Attention block, and Group Token Aggregation module to facilitate effective feature commu-nication and integration in both the spatial and temporal-polarity domains. After that, GET can be integrated with different downstream tasks by connecting it with vari-ous heads. We evaluate our method on four event-based classification datasets (Cifar10-DVS, N-MNIST, N-CARS, and DVS128Gesture) and two event-based object detection datasets (1Mpx and Gen1), and the results demonstrate that GET outperforms other state-of-the-art methods. The code is available at https://github.com/Peterande/GET-Group-Event-Transformer.