Daily Papers

Diffusion probabilistic models (DPMs) and their extensions have emerged as competitive generative models yet confront challenges of efficient sampling. We propose a new bilateral denoising diffusion model (BDDM) that parameterizes both the forward and reverse processes with a schedule network and a score network, which can train with a novel bilateral modeling objective. We show that the new surrogate objective can achieve a lower bound of the log marginal likelihood tighter than a conventional surrogate. We also find that BDDM allows inheriting pre-trained score network parameters from any DPMs and consequently enables speedy and stable learning of the schedule network and optimization of a noise schedule for sampling. Our experiments demonstrate that BDDMs can generate high-fidelity audio samples with as few as three sampling steps. Moreover, compared to other state-of-the-art diffusion-based neural vocoders, BDDMs produce comparable or higher quality samples indistinguishable from human speech, notably with only seven sampling steps (143x faster than WaveGrad and 28.6x faster than DiffWave). We release our code at https://github.com/tencent-ailab/bddm.

Recent work has shown that it is possible to train deep neural networks that are provably robust to norm-bounded adversarial perturbations. Most of these methods are based on minimizing an upper bound on the worst-case loss over all possible adversarial perturbations. While these techniques show promise, they often result in difficult optimization procedures that remain hard to scale to larger networks. Through a comprehensive analysis, we show how a simple bounding technique, interval bound propagation (IBP), can be exploited to train large provably robust neural networks that beat the state-of-the-art in verified accuracy. While the upper bound computed by IBP can be quite weak for general networks, we demonstrate that an appropriate loss and clever hyper-parameter schedule allow the network to adapt such that the IBP bound is tight. This results in a fast and stable learning algorithm that outperforms more sophisticated methods and achieves state-of-the-art results on MNIST, CIFAR-10 and SVHN. It also allows us to train the largest model to be verified beyond vacuous bounds on a downscaled version of ImageNet.

Distributed cloud environments hosting data-intensive applications often experience slowdowns due to network congestion, asymmetric bandwidth, and inter-node data shuffling. These factors are typically not captured by traditional host-level metrics like CPU or memory. Scheduling without accounting for these conditions can lead to poor placement decisions, longer data transfers, and suboptimal job performance. We present a network-aware job scheduler that uses supervised learning to predict the completion time of candidate jobs. Our system introduces a prediction-and-ranking mechanism that collects real-time telemetry from all nodes, uses a trained supervised model to estimate job duration per node, and ranks them to select the best placement. We evaluate the scheduler on a geo-distributed Kubernetes cluster deployed on the FABRIC testbed by running network-intensive Spark workloads. Compared to the default Kubernetes scheduler, which makes placement decisions based on current resource availability alone, our proposed supervised scheduler achieved 34-54% higher accuracy in selecting optimal nodes for job placement. The novelty of our work lies in the demonstration of supervised learning for real-time, network-aware job scheduling on a multi-site cluster.

We propose a framework to learn to schedule a job-shop problem (JSSP) using a graph neural network (GNN) and reinforcement learning (RL). We formulate the scheduling process of JSSP as a sequential decision-making problem with graph representation of the state to consider the structure of JSSP. In solving the formulated problem, the proposed framework employs a GNN to learn that node features that embed the spatial structure of the JSSP represented as a graph (representation learning) and derive the optimum scheduling policy that maps the embedded node features to the best scheduling action (policy learning). We employ Proximal Policy Optimization (PPO) based RL strategy to train these two modules in an end-to-end fashion. We empirically demonstrate that the GNN scheduler, due to its superb generalization capability, outperforms practically favored dispatching rules and RL-based schedulers on various benchmark JSSP. We also confirmed that the proposed framework learns a transferable scheduling policy that can be employed to schedule a completely new JSSP (in terms of size and parameters) without further training.

In this work, we introduce ChemBFN, a language model that handles chemistry tasks based on Bayesian flow networks working on discrete data. A new accuracy schedule is proposed to improve the sampling quality by significantly reducing the reconstruction loss. We show evidence that our method is appropriate for generating molecules with satisfied diversity even when a smaller number of sampling steps is used. A classifier-free guidance method is adapted for conditional generation. It is also worthwhile to point out that after generative training, our model can be fine-tuned on regression and classification tasks with the state-of-the-art performance, which opens the gate of building all-in-one models in a single module style. Our model has been open sourced at https://github.com/Augus1999/bayesian-flow-network-for-chemistry.

Neural networks dominate the modern machine learning landscape, but their training and success still suffer from sensitivity to empirical choices of hyperparameters such as model architecture, loss function, and optimisation algorithm. In this work we present Population Based Training (PBT), a simple asynchronous optimisation algorithm which effectively utilises a fixed computational budget to jointly optimise a population of models and their hyperparameters to maximise performance. Importantly, PBT discovers a schedule of hyperparameter settings rather than following the generally sub-optimal strategy of trying to find a single fixed set to use for the whole course of training. With just a small modification to a typical distributed hyperparameter training framework, our method allows robust and reliable training of models. We demonstrate the effectiveness of PBT on deep reinforcement learning problems, showing faster wall-clock convergence and higher final performance of agents by optimising over a suite of hyperparameters. In addition, we show the same method can be applied to supervised learning for machine translation, where PBT is used to maximise the BLEU score directly, and also to training of Generative Adversarial Networks to maximise the Inception score of generated images. In all cases PBT results in the automatic discovery of hyperparameter schedules and model selection which results in stable training and better final performance.

It is well known that many open-released foundational diffusion models have difficulty in generating images that substantially depart from average brightness, despite such images being present in the training data. This is due to an inconsistency: while denoising starts from pure Gaussian noise during inference, the training noise schedule retains residual data even in the final timestep distribution, due to difficulties in numerical conditioning in mainstream formulation, leading to unintended bias during inference. To mitigate this issue, certain epsilon-prediction models are combined with an ad-hoc offset-noise methodology. In parallel, some contemporary models have adopted zero-terminal SNR noise schedules together with v-prediction, which necessitate major alterations to pre-trained models. However, such changes risk destabilizing a large multitude of community-driven applications anchored on these pre-trained models. In light of this, our investigation revisits the fundamental causes, leading to our proposal of an innovative and principled remedy, called One More Step (OMS). By integrating a compact network and incorporating an additional simple yet effective step during inference, OMS elevates image fidelity and harmonizes the dichotomy between training and inference, while preserving original model parameters. Once trained, various pre-trained diffusion models with the same latent domain can share the same OMS module.

We propose focal modulation networks (FocalNets in short), where self-attention (SA) is completely replaced by a focal modulation mechanism for modeling token interactions in vision. Focal modulation comprises three components: (i) hierarchical contextualization, implemented using a stack of depth-wise convolutional layers, to encode visual contexts from short to long ranges, (ii) gated aggregation to selectively gather contexts for each query token based on its content, and (iii) element-wise modulation or affine transformation to inject the aggregated context into the query. Extensive experiments show FocalNets outperform the state-of-the-art SA counterparts (e.g., Swin and Focal Transformers) with similar computational costs on the tasks of image classification, object detection, and segmentation. Specifically, FocalNets with tiny and base size achieve 82.3% and 83.9% top-1 accuracy on ImageNet-1K. After pretrained on ImageNet-22K in 224 resolution, it attains 86.5% and 87.3% top-1 accuracy when finetuned with resolution 224 and 384, respectively. When transferred to downstream tasks, FocalNets exhibit clear superiority. For object detection with Mask R-CNN, FocalNet base trained with 1\times outperforms the Swin counterpart by 2.1 points and already surpasses Swin trained with 3\times schedule (49.0 v.s. 48.5). For semantic segmentation with UPerNet, FocalNet base at single-scale outperforms Swin by 2.4, and beats Swin at multi-scale (50.5 v.s. 49.7). Using large FocalNet and Mask2former, we achieve 58.5 mIoU for ADE20K semantic segmentation, and 57.9 PQ for COCO Panoptic Segmentation. Using huge FocalNet and DINO, we achieved 64.3 and 64.4 mAP on COCO minival and test-dev, respectively, establishing new SoTA on top of much larger attention-based models like Swinv2-G and BEIT-3. Code and checkpoints are available at https://github.com/microsoft/FocalNet.

Quantum communication can enhance internet technology by enabling novel applications that are provably impossible classically. The successful execution of such applications relies on the generation of quantum entanglement between different users of the network which meets stringent performance requirements. Alongside traditional metrics such as throughput and jitter, one must ensure the generated entanglement is of sufficiently high quality. Meeting such performance requirements demands a careful orchestration of many devices in the network, giving rise to a fundamentally new scheduling problem. Furthermore, technological limitations of near-term quantum devices impose significant constraints on scheduling methods hoping to meet performance requirements. In this work, we propose the first end-to-end design of a centralized quantum network with multiple users that orchestrates the delivery of entanglement which meets quality-of-service (QoS) requirements of applications. We achieve this by using a centrally constructed schedule that manages usage of devices and ensures the coordinated execution of different quantum operations throughout the network. We use periodic task scheduling and resource-constrained project scheduling techniques, including a novel heuristic, to construct the schedules. Our simulations of four small networks using hardware-validated network parameters, and of a real-world fiber topology using futuristic parameters, illustrate trade-offs between traditional and quantum performance metrics.

In this paper, we present an integral pre-training framework based on masked image modeling (MIM). We advocate for pre-training the backbone and neck jointly so that the transfer gap between MIM and downstream recognition tasks is minimal. We make two technical contributions. First, we unify the reconstruction and recognition necks by inserting a feature pyramid into the pre-training stage. Second, we complement mask image modeling (MIM) with masked feature modeling (MFM) that offers multi-stage supervision to the feature pyramid. The pre-trained models, termed integrally pre-trained transformer pyramid networks (iTPNs), serve as powerful foundation models for visual recognition. In particular, the base/large-level iTPN achieves an 86.2%/87.8% top-1 accuracy on ImageNet-1K, a 53.2%/55.6% box AP on COCO object detection with 1x training schedule using Mask-RCNN, and a 54.7%/57.7% mIoU on ADE20K semantic segmentation using UPerHead -- all these results set new records. Our work inspires the community to work on unifying upstream pre-training and downstream fine-tuning tasks. Code and the pre-trained models will be released at https://github.com/sunsmarterjie/iTPN.

The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets.While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations.In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient.In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets.First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations.From this framework, we derive the UBA schedule, controlled by a single hyper-parameter varphi that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between varphi and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of varphi.We offer practical guidelines for its selection via theoretical analysis and empirical results.xtensive experimental results show that UBA consistently surpasses the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.

Multi-agent coordination is crucial for reliable multi-robot navigation in shared spaces such as automated warehouses. In regions of dense robot traffic, local coordination methods may fail to find a deadlock-free solution. In these scenarios, it is appropriate to let a central unit generate a global schedule that decides the passing order of robots. However, the runtime of such centralized coordination methods increases significantly with the problem scale. In this paper, we propose to leverage Graph Neural Network Variational Autoencoders (GNN-VAE) to solve the multi-agent coordination problem at scale faster than through centralized optimization. We formulate the coordination problem as a graph problem and collect ground truth data using a Mixed-Integer Linear Program (MILP) solver. During training, our learning framework encodes good quality solutions of the graph problem into a latent space. At inference time, solution samples are decoded from the sampled latent variables, and the lowest-cost sample is selected for coordination. Finally, the feasible proposal with the highest performance index is selected for the deployment. By construction, our GNN-VAE framework returns solutions that always respect the constraints of the considered coordination problem. Numerical results show that our approach trained on small-scale problems can achieve high-quality solutions even for large-scale problems with 250 robots, being much faster than other baselines. Project page: https://mengyuest.github.io/gnn-vae-coord

This paper presents TULIP, a new architecture for a binary neural network (BNN) that uses an optimal schedule for executing the operations of an arbitrary BNN. It was constructed with the goal of maximizing energy efficiency per classification. At the top-level, TULIP consists of a collection of unique processing elements (TULIP-PEs) that are organized in a SIMD fashion. Each TULIP-PE consists of a small network of binary neurons, and a small amount of local memory per neuron. The unique aspect of the binary neuron is that it is implemented as a mixed-signal circuit that natively performs the inner-product and thresholding operation of an artificial binary neuron. Moreover, the binary neuron, which is implemented as a single CMOS standard cell, is reconfigurable, and with a change in a single parameter, can implement all standard operations involved in a BNN. We present novel algorithms for mapping arbitrary nodes of a BNN onto the TULIP-PEs. TULIP was implemented as an ASIC in TSMC 40nm-LP technology. To provide a fair comparison, a recently reported BNN that employs a conventional MAC-based arithmetic processor was also implemented in the same technology. The results show that TULIP is consistently 3X more energy-efficient than the conventional design, without any penalty in performance, area, or accuracy.

Modern top-performing object detectors depend heavily on backbone networks, whose advances bring consistent performance gains through exploring more effective network structures. In this paper, we propose a novel and flexible backbone framework, namely CBNetV2, to construct high-performance detectors using existing open-sourced pre-trained backbones under the pre-training fine-tuning paradigm. In particular, CBNetV2 architecture groups multiple identical backbones, which are connected through composite connections. Specifically, it integrates the high- and low-level features of multiple backbone networks and gradually expands the receptive field to more efficiently perform object detection. We also propose a better training strategy with assistant supervision for CBNet-based detectors. Without additional pre-training of the composite backbone, CBNetV2 can be adapted to various backbones (CNN-based vs. Transformer-based) and head designs of most mainstream detectors (one-stage vs. two-stage, anchor-based vs. anchor-free-based). Experiments provide strong evidence that, compared with simply increasing the depth and width of the network, CBNetV2 introduces a more efficient, effective, and resource-friendly way to build high-performance backbone networks. Particularly, our Dual-Swin-L achieves 59.4% box AP and 51.6% mask AP on COCO test-dev under the single-model and single-scale testing protocol, which is significantly better than the state-of-the-art result (57.7% box AP and 50.2% mask AP) achieved by Swin-L, while the training schedule is reduced by 6times. With multi-scale testing, we push the current best single model result to a new record of 60.1% box AP and 52.3% mask AP without using extra training data. Code is available at https://github.com/VDIGPKU/CBNetV2.

It is known that the learning rate is the most important hyper-parameter to tune for training deep neural networks. This paper describes a new method for setting the learning rate, named cyclical learning rates, which practically eliminates the need to experimentally find the best values and schedule for the global learning rates. Instead of monotonically decreasing the learning rate, this method lets the learning rate cyclically vary between reasonable boundary values. Training with cyclical learning rates instead of fixed values achieves improved classification accuracy without a need to tune and often in fewer iterations. This paper also describes a simple way to estimate "reasonable bounds" -- linearly increasing the learning rate of the network for a few epochs. In addition, cyclical learning rates are demonstrated on the CIFAR-10 and CIFAR-100 datasets with ResNets, Stochastic Depth networks, and DenseNets, and the ImageNet dataset with the AlexNet and GoogLeNet architectures. These are practical tools for everyone who trains neural networks.

The FlowNet demonstrated that optical flow estimation can be cast as a learning problem. However, the state of the art with regard to the quality of the flow has still been defined by traditional methods. Particularly on small displacements and real-world data, FlowNet cannot compete with variational methods. In this paper, we advance the concept of end-to-end learning of optical flow and make it work really well. The large improvements in quality and speed are caused by three major contributions: first, we focus on the training data and show that the schedule of presenting data during training is very important. Second, we develop a stacked architecture that includes warping of the second image with intermediate optical flow. Third, we elaborate on small displacements by introducing a sub-network specializing on small motions. FlowNet 2.0 is only marginally slower than the original FlowNet but decreases the estimation error by more than 50%. It performs on par with state-of-the-art methods, while running at interactive frame rates. Moreover, we present faster variants that allow optical flow computation at up to 140fps with accuracy matching the original FlowNet.

Smart home energy management systems help the distribution grid operate more efficiently and reliably, and enable effective penetration of distributed renewable energy sources. These systems rely on robust forecasting, optimization, and control/scheduling algorithms that can handle the uncertain nature of demand and renewable generation. This paper proposes an advanced ML algorithm, called Recurrent Trend Predictive Neural Network based Forecast Embedded Scheduling (rTPNN-FES), to provide efficient residential demand control. rTPNN-FES is a novel neural network architecture that simultaneously forecasts renewable energy generation and schedules household appliances. By its embedded structure, rTPNN-FES eliminates the utilization of separate algorithms for forecasting and scheduling and generates a schedule that is robust against forecasting errors. This paper also evaluates the performance of the proposed algorithm for an IoT-enabled smart home. The evaluation results reveal that rTPNN-FES provides near-optimal scheduling 37.5 times faster than the optimization while outperforming state-of-the-art forecasting techniques.

Joint clustering and feature learning methods have shown remarkable performance in unsupervised representation learning. However, the training schedule alternating between feature clustering and network parameters update leads to unstable learning of visual representations. To overcome this challenge, we propose Online Deep Clustering (ODC) that performs clustering and network update simultaneously rather than alternatingly. Our key insight is that the cluster centroids should evolve steadily in keeping the classifier stably updated. Specifically, we design and maintain two dynamic memory modules, i.e., samples memory to store samples labels and features, and centroids memory for centroids evolution. We break down the abrupt global clustering into steady memory update and batch-wise label re-assignment. The process is integrated into network update iterations. In this way, labels and the network evolve shoulder-to-shoulder rather than alternatingly. Extensive experiments demonstrate that ODC stabilizes the training process and boosts the performance effectively. Code: https://github.com/open-mmlab/OpenSelfSup.

Neural Architecture Search (NAS) has been a source of dramatic improvements in neural network design, with recent results meeting or exceeding the performance of hand-tuned architectures. However, our understanding of how to represent the search space for neural net architectures and how to search that space efficiently are both still in their infancy. We have performed an in-depth analysis to identify limitations in a widely used search space and a recent architecture search method, Differentiable Architecture Search (DARTS). These findings led us to introduce novel network blocks with a more general, balanced, and consistent design; a better-optimized Cosine Power Annealing learning rate schedule; and other improvements. Our resulting sharpDARTS search is 50% faster with a 20-30% relative improvement in final model error on CIFAR-10 when compared to DARTS. Our best single model run has 1.93% (1.98+/-0.07) validation error on CIFAR-10 and 5.5% error (5.8+/-0.3) on the recently released CIFAR-10.1 test set. To our knowledge, both are state of the art for models of similar size. This model also generalizes competitively to ImageNet at 25.1% top-1 (7.8% top-5) error. We found improvements for existing search spaces but does DARTS generalize to new domains? We propose Differentiable Hyperparameter Grid Search and the HyperCuboid search space, which are representations designed to leverage DARTS for more general parameter optimization. Here we find that DARTS fails to generalize when compared against a human's one shot choice of models. We look back to the DARTS and sharpDARTS search spaces to understand why, and an ablation study reveals an unusual generalization gap. We finally propose Max-W regularization to solve this problem, which proves significantly better than the handmade design. Code will be made available.

Lumina-T2X is a nascent family of Flow-based Large Diffusion Transformers that establishes a unified framework for transforming noise into various modalities, such as images and videos, conditioned on text instructions. Despite its promising capabilities, Lumina-T2X still encounters challenges including training instability, slow inference, and extrapolation artifacts. In this paper, we present Lumina-Next, an improved version of Lumina-T2X, showcasing stronger generation performance with increased training and inference efficiency. We begin with a comprehensive analysis of the Flag-DiT architecture and identify several suboptimal components, which we address by introducing the Next-DiT architecture with 3D RoPE and sandwich normalizations. To enable better resolution extrapolation, we thoroughly compare different context extrapolation methods applied to text-to-image generation with 3D RoPE, and propose Frequency- and Time-Aware Scaled RoPE tailored for diffusion transformers. Additionally, we introduced a sigmoid time discretization schedule to reduce sampling steps in solving the Flow ODE and the Context Drop method to merge redundant visual tokens for faster network evaluation, effectively boosting the overall sampling speed. Thanks to these improvements, Lumina-Next not only improves the quality and efficiency of basic text-to-image generation but also demonstrates superior resolution extrapolation capabilities and multilingual generation using decoder-based LLMs as the text encoder, all in a zero-shot manner. To further validate Lumina-Next as a versatile generative framework, we instantiate it on diverse tasks including visual recognition, multi-view, audio, music, and point cloud generation, showcasing strong performance across these domains. By releasing all codes and model weights, we aim to advance the development of next-generation generative AI capable of universal modeling.

Dealing with multi-task trade-offs during inference can be addressed via Pareto Front Learning (PFL) methods that parameterize the Pareto Front with a single model, contrary to traditional Multi-Task Learning (MTL) approaches that optimize for a single trade-off which has to be decided prior to training. However, recent PFL methodologies suffer from limited scalability, slow convergence and excessive memory requirements compared to MTL approaches while exhibiting inconsistent mappings from preference space to objective space. In this paper, we introduce PaLoRA, a novel parameter-efficient method that augments the original model with task-specific low-rank adapters and continuously parameterizes the Pareto Front in their convex hull. Our approach dedicates the original model and the adapters towards learning general and task-specific features, respectively. Additionally, we propose a deterministic sampling schedule of preference vectors that reinforces this division of labor, enabling faster convergence and scalability to real world networks. Our experimental results show that PaLoRA outperforms MTL and PFL baselines across various datasets, scales to large networks and provides a continuous parameterization of the Pareto Front, reducing the memory overhead 23.8-31.7 times compared with competing PFL baselines in scene understanding benchmarks.

Recently, bound propagation based certified robust training methods have been proposed for training neural networks with certifiable robustness guarantees. Despite that state-of-the-art (SOTA) methods including interval bound propagation (IBP) and CROWN-IBP have per-batch training complexity similar to standard neural network training, they usually use a long warmup schedule with hundreds or thousands epochs to reach SOTA performance and are thus still costly. In this paper, we identify two important issues in existing methods, namely exploded bounds at initialization, and the imbalance in ReLU activation states and improve IBP training. These two issues make certified training difficult and unstable, and thereby long warmup schedules were needed in prior works. To mitigate these issues and conduct faster certified training with shorter warmup, we propose three improvements based on IBP training: 1) We derive a new weight initialization method for IBP training; 2) We propose to fully add Batch Normalization (BN) to each layer in the model, since we find BN can reduce the imbalance in ReLU activation states; 3) We also design regularization to explicitly tighten certified bounds and balance ReLU activation states during wamrup. We are able to obtain 65.03% verified error on CIFAR-10 (epsilon=8{255}) and 82.36% verified error on TinyImageNet (epsilon=1{255}) using very short training schedules (160 and 80 total epochs, respectively), outperforming literature SOTA trained with hundreds or thousands epochs under the same network architecture. The code is available at https://github.com/shizhouxing/Fast-Certified-Robust-Training.

Existing learning rate schedules that do not require specification of the optimization stopping step T are greatly out-performed by learning rate schedules that depend on T. We propose an approach that avoids the need for this stopping time by eschewing the use of schedules entirely, while exhibiting state-of-the-art performance compared to schedules across a wide family of problems ranging from convex problems to large-scale deep learning problems. Our Schedule-Free approach introduces no additional hyper-parameters over standard optimizers with momentum. Our method is a direct consequence of a new theory we develop that unifies scheduling and iterate averaging. An open source implementation of our method is available (https://github.com/facebookresearch/schedule_free).

Temporal networks have been widely used to model real-world complex systems such as financial systems and e-commerce systems. In a temporal network, the joint neighborhood of a set of nodes often provides crucial structural information useful for predicting whether they may interact at a certain time. However, recent representation learning methods for temporal networks often fail to extract such information or depend on online construction of structural features, which is time-consuming. To address the issue, this work proposes Neighborhood-Aware Temporal network model (NAT). For each node in the network, NAT abandons the commonly-used one-single-vector-based representation while adopting a novel dictionary-type neighborhood representation. Such a dictionary representation records a downsampled set of the neighboring nodes as keys, and allows fast construction of structural features for a joint neighborhood of multiple nodes. We also design a dedicated data structure termed N-cache to support parallel access and update of those dictionary representations on GPUs. NAT gets evaluated over seven real-world large-scale temporal networks. NAT not only outperforms all cutting-edge baselines by averaged 1.2% and 4.2% in transductive and inductive link prediction accuracy, respectively, but also keeps scalable by achieving a speed-up of 4.1-76.7x against the baselines that adopt joint structural features and achieves a speed-up of 1.6-4.0x against the baselines that cannot adopt those features. The link to the code: https: //github.com/Graph-COM/Neighborhood-Aware-Temporal-Network.

Community GPU platforms are emerging as a cost-effective and democratized alternative to centralized GPU clusters for AI workloads, aggregating idle consumer GPUs from globally distributed and heterogeneous environments. However, their extreme hardware/software diversity, volatile availability, and variable network conditions render traditional schedulers ineffective, leading to suboptimal task completion. In this work, we present REACH (Reinforcement Learning for Efficient Allocation in Community and Heterogeneous Networks), a Transformer-based reinforcement learning framework that redefines task scheduling as a sequence scoring problem to balance performance, reliability, cost, and network efficiency. By modeling both global GPU states and task requirements, REACH learns to adaptively co-locate computation with data, prioritize critical jobs, and mitigate the impact of unreliable resources. Extensive simulation results show that REACH improves task completion rates by up to 17%, more than doubles the success rate for high-priority tasks, and reduces bandwidth penalties by over 80% compared to state-of-the-art baselines. Stress tests further demonstrate its robustness to GPU churn and network congestion, while scalability experiments confirm its effectiveness in large-scale, high-contention scenarios.

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of different networks, while each can last for hours. In this work, we propose the Graph HyperNetwork (GHN) to amortize the search cost: given an architecture, it directly generates the weights by running inference on a graph neural network. GHNs model the topology of an architecture and therefore can predict network performance more accurately than regular hypernetworks and premature early stopping. To perform NAS, we randomly sample architectures and use the validation accuracy of networks with GHN generated weights as the surrogate search signal. GHNs are fast -- they can search nearly 10 times faster than other random search methods on CIFAR-10 and ImageNet. GHNs can be further extended to the anytime prediction setting, where they have found networks with better speed-accuracy tradeoff than the state-of-the-art manual designs.

This paper presents Block, a distributed scheduling framework designed to optimize load balancing and auto-provisioning across instances in large language model serving frameworks by leveraging contextual information from incoming requests. Unlike popular model serving systems that rely on monolithic and heuristic task schedulers, Block operates as a fully distributed, stateless, and predictive scheduling system to achieve low overhead, reliability, and scalability. It leverages the deterministic and predictable characteristics of LLM inferences, such as host configurations, response lengths, and hardware performance, to make scheduling decisions based on accurately predicted metrics. Evaluation on a 12 GPUs cluster shows that Block significantly outperforms heuristic schedulers, boosting serving capacity by up to 16.7\% and reducing P99 tail latency by up to 49.5\%. These performance gains remain consistent across diverse models, workloads and configurations. Code and data are open-sourced.

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the quality of GNN representation learning including temporal graph architectures with long term losses, effective cold start solutions via graph densification, ID embeddings and multi-hop neighbor sampling. We explain how we built and sped up by 7x our large-scale training on LinkedIn graphs with adaptive sampling of neighbors, grouping and slicing of training data batches, specialized shared-memory queue and local gradient optimization. We summarize our deployment lessons and learnings gathered from A/B test experiments. The techniques presented in this work have contributed to an approximate relative improvements of 1% of Job application hearing back rate, 2% Ads CTR lift, 0.5% of Feed engaged daily active users, 0.2% session lift and 0.1% weekly active user lift from people recommendation. We believe that this work can provide practical solutions and insights for engineers who are interested in applying Graph neural networks at large scale.

Predicting the bandwidth utilization on network links can be extremely useful for detecting congestion in order to correct them before they occur. In this paper, we present a solution to predict the bandwidth utilization between different network links with a very high accuracy. A simulated network is created to collect data related to the performance of the network links on every interface. These data are processed and expanded with feature engineering in order to create a training set. We evaluate and compare three types of machine learning algorithms, namely ARIMA (AutoRegressive Integrated Moving Average), MLP (Multi Layer Perceptron) and LSTM (Long Short-Term Memory), in order to predict the future bandwidth consumption. The LSTM outperforms ARIMA and MLP with very accurate predictions, rarely exceeding a 3\% error (40\% for ARIMA and 20\% for the MLP). We then show that the proposed solution can be used in real time with a reaction managed by a Software-Defined Networking (SDN) platform.

Recent advancements in LLMs have contributed to the rise of advanced conversational assistants that can assist with user needs through natural language conversation. This paper presents a ScheduleMe, a multi-agent calendar assistant for users to manage google calendar events in natural language. The system uses a graph-structured coordination mechanism where a central supervisory agent supervises specialized task agents, allowing modularity, conflicts resolution, and context-aware interactions to resolve ambiguities and evaluate user commands. This approach sets an example of how structured reasoning and agent cooperation might convince operators to increase the usability and flexibility of personal calendar assistant tools.

This study presents a machine learning-assisted approach to optimize task scheduling in cluster systems, focusing on node-affinity constraints. Traditional schedulers like Kubernetes struggle with real-time adaptability, whereas the proposed continuous transfer learning model evolves dynamically during operations, minimizing retraining needs. Evaluated on Google Cluster Data, the model achieves over 99% accuracy, reducing computational overhead and improving scheduling latency for constrained tasks. This scalable solution enables real-time optimization, advancing machine learning integration in cluster management and paving the way for future adaptive scheduling strategies.

Deep learning practitioners often operate on a computational and monetary budget. Thus, it is critical to design optimization algorithms that perform well under any budget. The linear learning rate schedule is considered the best budget-aware schedule, as it outperforms most other schedules in the low budget regime. On the other hand, learning rate schedules -- such as the 30-60-90 step schedule -- are known to achieve high performance when the model can be trained for many epochs. Yet, it is often not known a priori whether one's budget will be large or small; thus, the optimal choice of learning rate schedule is made on a case-by-case basis. In this paper, we frame the learning rate schedule selection problem as a combination of i) selecting a profile (i.e., the continuous function that models the learning rate schedule), and ii) choosing a sampling rate (i.e., how frequently the learning rate is updated/sampled from this profile). We propose a novel profile and sampling rate combination called the Reflected Exponential (REX) schedule, which we evaluate across seven different experimental settings with both SGD and Adam optimizers. REX outperforms the linear schedule in the low budget regime, while matching or exceeding the performance of several state-of-the-art learning rate schedules (linear, step, exponential, cosine, step decay on plateau, and OneCycle) in both high and low budget regimes. Furthermore, REX requires no added computation, storage, or hyperparameters.

Node centralities play a pivotal role in network science, social network analysis, and recommender systems. In temporal data, static path-based centralities like closeness or betweenness can give misleading results about the true importance of nodes in a temporal graph. To address this issue, temporal generalizations of betweenness and closeness have been defined that are based on the shortest time-respecting paths between pairs of nodes. However, a major issue of those generalizations is that the calculation of such paths is computationally expensive. Addressing this issue, we study the application of De Bruijn Graph Neural Networks (DBGNN), a causality-aware graph neural network architecture, to predict temporal path-based centralities in time series data. We experimentally evaluate our approach in 13 temporal graphs from biological and social systems and show that it considerably improves the prediction of both betweenness and closeness centrality compared to a static Graph Convolutional Neural Network.

Large Language Model (LLM) workloads have distinct prefill and decode phases with different compute and memory requirements which should ideally be accounted for when scheduling input queries across different LLM instances in a cluster. However existing scheduling algorithms treat LLM workloads as monolithic jobs without considering the distinct characteristics of the two phases in each workload. This leads to sub-optimal scheduling and increased response latency. In this work, we propose a heuristic-guided reinforcement learning-based intelligent router for data-driven and workload-aware scheduling. Our router leverages a trainable response-length predictor, and a novel formulation for estimating the impact of mixing different workloads to schedule queries across LLM instances and achieve over 11\% lower end-to-end latency than existing approaches.

This paper presents a novel approach to categorization of modern workload schedulers. We provide descriptions of three classes of schedulers: Operating Systems Process Schedulers, Cluster Systems Jobs Schedulers and Big Data Schedulers. We describe their evolution from early adoptions to modern implementations, considering both the use and features of algorithms. In summary, we discuss differences between all presented classes of schedulers and discuss their chronological development. In conclusion we highlight similarities in the focus of scheduling strategies design, applicable to both local and distributed systems.

Graph Neural Networks (GNNs) have gained traction across different domains such as transportation, bio-informatics, language processing, and computer vision. However, there is a noticeable absence of research on applying GNNs to supply chain networks. Supply chain networks are inherently graph-like in structure, making them prime candidates for applying GNN methodologies. This opens up a world of possibilities for optimizing, predicting, and solving even the most complex supply chain problems. A major setback in this approach lies in the absence of real-world benchmark datasets to facilitate the research and resolution of supply chain problems using GNNs. To address the issue, we present a real-world benchmark dataset for temporal tasks, obtained from one of the leading FMCG companies in Bangladesh, focusing on supply chain planning for production purposes. The dataset includes temporal data as node features to enable sales predictions, production planning, and the identification of factory issues. By utilizing this dataset, researchers can employ GNNs to address numerous supply chain problems, thereby advancing the field of supply chain analytics and planning. Source: https://github.com/CIOL-SUST/SupplyGraph

Despite the remarkable success achieved by neural networks, particularly those represented by MLP and Transformer, we reveal that they exhibit potential flaws in the modeling and reasoning of periodicity, i.e., they tend to memorize the periodic data rather than genuinely understanding the underlying principles of periodicity. However, periodicity is a crucial trait in various forms of reasoning and generalization, underpinning predictability across natural and engineered systems through recurring patterns in observations. In this paper, we propose FAN, a novel network architecture based on Fourier Analysis, which empowers the ability to efficiently model and reason about periodic phenomena. By introducing Fourier Series, the periodicity is naturally integrated into the structure and computational processes of the neural network, thus achieving a more accurate expression and prediction of periodic patterns. As a promising substitute to multi-layer perceptron (MLP), FAN can seamlessly replace MLP in various models with fewer parameters and FLOPs. Through extensive experiments, we demonstrate the effectiveness of FAN in modeling and reasoning about periodic functions, and the superiority and generalizability of FAN across a range of real-world tasks, including symbolic formula representation, time series forecasting, and language modeling.

Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain knowledge. In this paper, we propose a Graph Neural Architecture Search method (GraphNAS for short) that enables automatic search of the best graph neural architecture based on reinforcement learning. Specifically, GraphNAS first uses a recurrent network to generate variable-length strings that describe the architectures of graph neural networks, and then trains the recurrent network with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation data set. Extensive experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that GraphNAS can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network. On node classification tasks, GraphNAS can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy.

Message passing neural networks (MPNNs) have been shown to suffer from the phenomenon of over-squashing that causes poor performance for tasks relying on long-range interactions. This can be largely attributed to message passing only occurring locally, over a node's immediate neighbours. Rewiring approaches attempting to make graphs 'more connected', and supposedly better suited to long-range tasks, often lose the inductive bias provided by distance on the graph since they make distant nodes communicate instantly at every layer. In this paper we propose a framework, applicable to any MPNN architecture, that performs a layer-dependent rewiring to ensure gradual densification of the graph. We also propose a delay mechanism that permits skip connections between nodes depending on the layer and their mutual distance. We validate our approach on several long-range tasks and show that it outperforms graph Transformers and multi-hop MPNNs.

In this work, we present a new network design paradigm. Our goal is to help advance the understanding of network design and discover design principles that generalize across settings. Instead of focusing on designing individual network instances, we design network design spaces that parametrize populations of networks. The overall process is analogous to classic manual design of networks, but elevated to the design space level. Using our methodology we explore the structure aspect of network design and arrive at a low-dimensional design space consisting of simple, regular networks that we call RegNet. The core insight of the RegNet parametrization is surprisingly simple: widths and depths of good networks can be explained by a quantized linear function. We analyze the RegNet design space and arrive at interesting findings that do not match the current practice of network design. The RegNet design space provides simple and fast networks that work well across a wide range of flop regimes. Under comparable training settings and flops, the RegNet models outperform the popular EfficientNet models while being up to 5x faster on GPUs.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

Effective learning rate (LR) scheduling is crucial for training deep neural networks. However, popular pre-defined and adaptive schedulers can still lead to suboptimal generalization. This paper introduces VolSched, a novel adaptive LR scheduler inspired by the concept of volatility in stochastic processes like Geometric Brownian Motion to dynamically adjust the learning rate. By calculating the ratio between long-term and short-term accuracy volatility, VolSched increases the LR to escape plateaus and decreases it to stabilize training, allowing the model to explore the loss landscape more effectively. We evaluate VolSched on the CIFAR-100 dataset against a strong baseline using a standard augmentation pipeline. When paired with ResNet-18 and ResNet-34, our scheduler delivers consistent performance gains, improving top-1 accuracy by 1.4 and 1.3 percentage points respectively. Analysis of the loss curves reveals that VolSched promotes a longer exploration phase. A quantitative analysis of the Hessian shows that VolSched finds a final solution that is 38% flatter than the next-best baseline, allowing the model to obtain wider minima and hence better generalization performance.

The Dragonfly network, with its high-radix and low-diameter structure, is a leading interconnect in high-performance computing. A major challenge is workload interference on shared network links. Parallel discrete event simulation (PDES) is commonly used to analyze workload interference. However, high-fidelity PDES is computationally expensive, making it impractical for large-scale or real-time scenarios. Hybrid simulation that incorporates data-driven surrogate models offers a promising alternative, especially for forecasting application runtime, a task complicated by the dynamic behavior of network traffic. We present \ourmodel, a surrogate model that combines graph neural networks (GNNs) and large language models (LLMs) to capture both spatial and temporal patterns from port level router data. \ourmodel outperforms existing statistical and machine learning baselines, enabling accurate runtime prediction and supporting efficient hybrid simulation of Dragonfly networks.

Large Language Models (LLMs) have demonstrated exceptional abilities in reasoning for task planning. However, challenges remain under-explored for parallel schedules. This paper introduces a novel paradigm, plan-over-graph, in which the model first decomposes a real-life textual task into executable subtasks and constructs an abstract task graph. The model then understands this task graph as input and generates a plan for parallel execution. To enhance the planning capability of complex, scalable graphs, we design an automated and controllable pipeline to generate synthetic graphs and propose a two-stage training scheme. Experimental results show that our plan-over-graph method significantly improves task performance on both API-based LLMs and trainable open-sourced LLMs. By normalizing complex tasks as graphs, our method naturally supports parallel execution, demonstrating global efficiency. The code and data are available at https://github.com/zsq259/Plan-over-Graph.

Traffic prediction is essential for the progression of Intelligent Transportation Systems (ITS) and the vision of smart cities. While Spatial-Temporal Graph Neural Networks (STGNNs) have shown promise in this domain by leveraging Graph Neural Networks (GNNs) integrated with either RNNs or Transformers, they present challenges such as computational complexity, gradient issues, and resource-intensiveness. This paper addresses these challenges, advocating for three main solutions: a node-embedding approach, time series decomposition, and periodicity learning. We introduce STLinear, a minimalist model architecture designed for optimized efficiency and performance. Unlike traditional STGNNs, STlinear operates fully locally, avoiding inter-node data exchanges, and relies exclusively on linear layers, drastically cutting computational demands. Our empirical studies on real-world datasets confirm STLinear's prowess, matching or exceeding the accuracy of leading STGNNs, but with significantly reduced complexity and computation overhead (more than 95% reduction in MACs per epoch compared to state-of-the-art STGNN baseline published in 2023). In summary, STLinear emerges as a potent, efficient alternative to conventional STGNNs, with profound implications for the future of ITS and smart city initiatives.

The interrupting swap-allowed blocking job shop problem (ISBJSSP) is a complex scheduling problem that is able to model many manufacturing planning and logistics applications realistically by addressing both the lack of storage capacity and unforeseen production interruptions. Subjected to random disruptions due to machine malfunction or maintenance, industry production settings often choose to adopt dispatching rules to enable adaptive, real-time re-scheduling, rather than traditional methods that require costly re-computation on the new configuration every time the problem condition changes dynamically. To generate dispatching rules for the ISBJSSP problem, a method that uses graph neural networks and reinforcement learning is proposed. ISBJSSP is formulated as a Markov decision process. Using proximal policy optimization, an optimal scheduling policy is learnt from randomly generated instances. Employing a set of reported benchmark instances, we conduct a detailed experimental study on ISBJSSP instances with a range of machine shutdown probabilities to show that the scheduling policies generated can outperform or are at least as competitive as existing dispatching rules with predetermined priority. This study shows that the ISBJSSP, which requires real-time adaptive solutions, can be scheduled efficiently with the proposed machine learning method when production interruptions occur with random machine shutdowns.

Recent large language models (LLMs) have tended to leverage sparsity to reduce computations, employing the sparsely activated mixture-of-experts (MoE) technique. MoE introduces four modules, including token routing, token communication, expert computation, and expert parallelism, that impact model quality and training efficiency. To enable versatile usage of MoE models, we introduce FSMoE, a flexible training system optimizing task scheduling with three novel techniques: 1) Unified abstraction and online profiling of MoE modules for task scheduling across various MoE implementations. 2) Co-scheduling intra-node and inter-node communications with computations to minimize communication overheads. 3) To support near-optimal task scheduling, we design an adaptive gradient partitioning method for gradient aggregation and a schedule to adaptively pipeline communications and computations. We conduct extensive experiments with configured MoE layers and real-world MoE models on two GPU clusters. Experimental results show that 1) our FSMoE supports four popular types of MoE routing functions and is more efficient than existing implementations (with up to a 1.42times speedup), and 2) FSMoE outperforms the state-of-the-art MoE training systems (DeepSpeed-MoE and Tutel) by 1.18times-1.22times on 1458 MoE layers and 1.19times-3.01times on real-world MoE models based on GPT-2 and Mixtral using a popular routing function.