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Dec 8

wa-hls4ml: A Benchmark and Surrogate Models for hls4ml Resource and Latency Estimation

As machine learning (ML) is increasingly implemented in hardware to address real-time challenges in scientific applications, the development of advanced toolchains has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as hardware synthesis, are becoming limiting factors in the rapid iteration of designs. To mitigate these emerging constraints, multiple efforts have been undertaken to develop an ML-based surrogate model that estimates resource usage of ML accelerator architectures. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of over 680,000 fully connected and convolutional neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, and the average performance across a subset of the dataset. Additionally, we introduce GNN- and transformer-based surrogate models that predict latency and resources for ML accelerators. We present the architecture and performance of the models and find that the models generally predict latency and resources for the 75% percentile within several percent of the synthesized resources on the synthetic test dataset.

  • 16 authors
·
Nov 6

HELP: Hardware-Adaptive Efficient Latency Prediction for NAS via Meta-Learning

For deployment, neural architecture search should be hardware-aware, in order to satisfy the device-specific constraints (e.g., memory usage, latency and energy consumption) and enhance the model efficiency. Existing methods on hardware-aware NAS collect a large number of samples (e.g., accuracy and latency) from a target device, either builds a lookup table or a latency estimator. However, such approach is impractical in real-world scenarios as there exist numerous devices with different hardware specifications, and collecting samples from such a large number of devices will require prohibitive computational and monetary cost. To overcome such limitations, we propose Hardware-adaptive Efficient Latency Predictor (HELP), which formulates the device-specific latency estimation problem as a meta-learning problem, such that we can estimate the latency of a model's performance for a given task on an unseen device with a few samples. To this end, we introduce novel hardware embeddings to embed any devices considering them as black-box functions that output latencies, and meta-learn the hardware-adaptive latency predictor in a device-dependent manner, using the hardware embeddings. We validate the proposed HELP for its latency estimation performance on unseen platforms, on which it achieves high estimation performance with as few as 10 measurement samples, outperforming all relevant baselines. We also validate end-to-end NAS frameworks using HELP against ones without it, and show that it largely reduces the total time cost of the base NAS method, in latency-constrained settings. Code is available at https://github.com/HayeonLee/HELP.

  • 4 authors
·
Jun 16, 2021

DistServe: Disaggregating Prefill and Decoding for Goodput-optimized Large Language Model Serving

DistServe improves the performance of large language models (LLMs) serving by disaggregating the prefill and decoding computation. Existing LLM serving systems colocate the two phases and batch the computation of prefill and decoding across all users and requests. We find that this strategy not only leads to strong prefill-decoding interferences but also couples the resource allocation and parallelism plans for both phases. LLM applications often emphasize individual latency for each phase: time to first token (TTFT) for the prefill phase and time per output token (TPOT) of each request for the decoding phase. In the presence of stringent latency requirements, existing systems have to prioritize one latency over the other, or over-provision compute resources to meet both. DistServe assigns prefill and decoding computation to different GPUs, hence eliminating prefill-decoding interferences. Given the application's TTFT and TPOT requirements, DistServe co-optimizes the resource allocation and parallelism strategy tailored for each phase. DistServe also places the two phases according to the serving cluster's bandwidth to minimize the communication caused by disaggregation. As a result, DistServe significantly improves LLM serving performance in terms of the maximum rate that can be served within both TTFT and TPOT constraints on each GPU. Our evaluations show that on various popular LLMs, applications, and latency requirements, DistServe can serve 4.48x more requests or 10.2x tighter SLO, compared to state-of-the-art systems, while staying within latency constraints for > 90% of requests.

  • 8 authors
·
Jan 17, 2024 1

Model-free Approach to Evaluate a Censored Intermediate Outcome as a Surrogate for Overall Survival

Clinical trials or studies oftentimes require long-term and/or costly follow-up of participants to evaluate a novel treatment/drug/vaccine. There has been increasing interest in the past few decades in using short-term surrogate outcomes as a replacement of the primary outcome i.e., in using the surrogate outcome, which can potentially be observed sooner, to make inference about the treatment effect on the long-term primary outcome. Very few of the available statistical methods to evaluate a surrogate are applicable to settings where both the surrogate and the primary outcome are time-to-event outcomes subject to censoring. Methods that can handle this setting tend to require parametric assumptions or be limited to assessing only the restricted mean survival time. In this paper, we propose a non-parametric approach to evaluate a censored surrogate outcome, such as time to progression, when the primary outcome is also a censored time-to-event outcome, such as time to death, and the treatment effect of interest is the difference in overall survival. Specifically, we define the proportion of the treatment effect on the primary outcome that is explained (PTE) by the censored surrogate outcome in this context, and estimate this proportion by defining and deriving an optimal transformation of the surrogate information. Our approach provides the added advantage of relaxed assumptions to guarantee that the true PTE is within (0,1), along with being model-free. Finite sample performance of our estimators are illustrated via extensive simulation studies and a real data application examining progression-free survival as a surrogate for overall survival for patients with metastatic colorectal cancer.

  • 4 authors
·
Dec 18, 2024

Incorporating Surrogate Gradient Norm to Improve Offline Optimization Techniques

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

  • 4 authors
·
Mar 6

Efficient and Transferable Adversarial Examples from Bayesian Neural Networks

An established way to improve the transferability of black-box evasion attacks is to craft the adversarial examples on an ensemble-based surrogate to increase diversity. We argue that transferability is fundamentally related to uncertainty. Based on a state-of-the-art Bayesian Deep Learning technique, we propose a new method to efficiently build a surrogate by sampling approximately from the posterior distribution of neural network weights, which represents the belief about the value of each parameter. Our extensive experiments on ImageNet, CIFAR-10 and MNIST show that our approach improves the success rates of four state-of-the-art attacks significantly (up to 83.2 percentage points), in both intra-architecture and inter-architecture transferability. On ImageNet, our approach can reach 94% of success rate while reducing training computations from 11.6 to 2.4 exaflops, compared to an ensemble of independently trained DNNs. Our vanilla surrogate achieves 87.5% of the time higher transferability than three test-time techniques designed for this purpose. Our work demonstrates that the way to train a surrogate has been overlooked, although it is an important element of transfer-based attacks. We are, therefore, the first to review the effectiveness of several training methods in increasing transferability. We provide new directions to better understand the transferability phenomenon and offer a simple but strong baseline for future work.

  • 5 authors
·
Nov 10, 2020

FiRST: Finetuning Router-Selective Transformers for Input-Adaptive Latency Reduction

Auto-regressive Large Language Models (LLMs) demonstrate remarkable performance across different domains such as vision and language processing. However, due to sequential processing through a stack of transformer layers, autoregressive decoding faces significant computation/latency challenges, particularly in resource-constrained environments like mobile and edge devices. Existing approaches in literature that aim to improve latency via skipping layers have two distinct flavors - 1) Early exit, and 2) Input-agnostic heuristics where tokens exit at pre-determined layers irrespective of input sequence. Both the above strategies have limitations - the former cannot be applied to handle KV Caching necessary for speed-ups in modern framework and the latter does not capture the variation in layer importance across tasks or more generally, across input sequences. To address both limitations, we propose FiRST, an algorithm that reduces inference latency by using layer-specific routers to select a subset of transformer layers adaptively for each input sequence - the prompt (during the prefill stage) decides which layers will be skipped during decoding. FiRST preserves compatibility with KV caching enabling faster inference while being quality-aware. FiRST is model-agnostic and can be easily enabled on any pre-trained LLM. Our approach reveals that input adaptivity is critical - indeed, different task-specific middle layers play a crucial role in evolving hidden representations depending on tasks. Extensive experiments show that FiRST significantly reduces latency while outperforming other layer selection strategies in quality metics. It retains competitive performance to base model (without layer skipping) and in some cases, even improves upon it. FiRST is thus a promising and efficient solution for LLM deployment in low-resource environments.

  • 4 authors
·
Oct 16, 2024

Nemotron-Flash: Towards Latency-Optimal Hybrid Small Language Models

Efficient deployment of small language models (SLMs) is essential for numerous real-world applications with stringent latency constraints. While previous work on SLM design has primarily focused on reducing the number of parameters to achieve parameter-optimal SLMs, parameter efficiency does not necessarily translate into proportional real-device speed-ups. This work aims to identify the key determinants of SLMs' real-device latency and offer generalizable principles and methodologies for SLM design and training when real-device latency is the primary consideration. Specifically, we identify two central architectural factors: depth-width ratios and operator choices. The former is crucial for small-batch-size latency, while the latter affects both latency and large-batch-size throughput. In light of this, we first study latency-optimal depth-width ratios, with the key finding that although deep-thin models generally achieve better accuracy under the same parameter budget, they may not lie on the accuracy-latency trade-off frontier. Next, we explore emerging efficient attention alternatives to evaluate their potential as candidate building operators. Using the identified promising operators, we construct an evolutionary search framework to automatically discover latency-optimal combinations of these operators within hybrid SLMs, thereby advancing the accuracy-latency frontier. In addition to architectural improvements, we further enhance SLM training using a weight normalization technique that enables more effective weight updates and improves final convergence. Combining these methods, we introduce a new family of hybrid SLMs, called Nemotron-Flash, which significantly advances the accuracy-efficiency frontier of state-of-the-art SLMs, e.g., achieving over +5.5% average accuracy, 1.3x/1.9x lower latency, and 18.7x/45.6x higher throughput compared to Qwen3-1.7B/0.6B, respectively.

nvidia NVIDIA
·
Nov 24 2

C3PO: Critical-Layer, Core-Expert, Collaborative Pathway Optimization for Test-Time Expert Re-Mixing

Mixture-of-Experts (MoE) Large Language Models (LLMs) suffer from severely sub-optimal expert pathways-our study reveals that naive expert selection learned from pretraining leaves a surprising 10-20% accuracy gap for improvement. Motivated by this observation, we develop a novel class of test-time optimization methods to re-weight or "re-mixing" the experts in different layers jointly for each test sample. Since the test sample's ground truth is unknown, we propose to optimize a surrogate objective defined by the sample's "successful neighbors" from a reference set of samples. We introduce three surrogates and algorithms based on mode-finding, kernel regression, and the average loss of similar reference samples/tasks. To reduce the cost of optimizing whole pathways, we apply our algorithms merely to the core experts' mixing weights in critical layers, which enjoy similar performance but save significant computation. This leads to "Critical-Layer, Core-Expert, Collaborative Pathway Optimization (C3PO)". We apply C3PO to two recent MoE LLMs and examine it on six widely-used benchmarks. It consistently improves the base model by 7-15% in accuracy and outperforms widely used test-time learning baselines, e.g., in-context learning and prompt/prefix tuning, by a large margin. Moreover, C3PO enables MoE LLMs with 1-3B active parameters to outperform LLMs of 7-9B parameters, hence improving MoE's advantages on efficiency. Our thorough ablation study further sheds novel insights on achieving test-time improvement on MoE.

  • 3 authors
·
Apr 10 3

A Study of Bayesian Neural Network Surrogates for Bayesian Optimization

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

  • 3 authors
·
May 31, 2023

Sound propagation in realistic interactive 3D scenes with parameterized sources using deep neural operators

We address the challenge of sound propagation simulations in 3D virtual rooms with moving sources, which have applications in virtual/augmented reality, game audio, and spatial computing. Solutions to the wave equation can describe wave phenomena such as diffraction and interference. However, simulating them using conventional numerical discretization methods with hundreds of source and receiver positions is intractable, making stimulating a sound field with moving sources impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with moving sources, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 Pa to 0.10 Pa. Notably, our method signifies a paradigm shift as no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains. We anticipate that our findings will drive further exploration of deep neural operator methods, advancing research in immersive user experiences within virtual environments.

  • 5 authors
·
Aug 9, 2023

Adaptive Testing Environment Generation for Connected and Automated Vehicles with Dense Reinforcement Learning

The assessment of safety performance plays a pivotal role in the development and deployment of connected and automated vehicles (CAVs). A common approach involves designing testing scenarios based on prior knowledge of CAVs (e.g., surrogate models), conducting tests in these scenarios, and subsequently evaluating CAVs' safety performances. However, substantial differences between CAVs and the prior knowledge can significantly diminish the evaluation efficiency. In response to this issue, existing studies predominantly concentrate on the adaptive design of testing scenarios during the CAV testing process. Yet, these methods have limitations in their applicability to high-dimensional scenarios. To overcome this challenge, we develop an adaptive testing environment that bolsters evaluation robustness by incorporating multiple surrogate models and optimizing the combination coefficients of these surrogate models to enhance evaluation efficiency. We formulate the optimization problem as a regression task utilizing quadratic programming. To efficiently obtain the regression target via reinforcement learning, we propose the dense reinforcement learning method and devise a new adaptive policy with high sample efficiency. Essentially, our approach centers on learning the values of critical scenes displaying substantial surrogate-to-real gaps. The effectiveness of our method is validated in high-dimensional overtaking scenarios, demonstrating that our approach achieves notable evaluation efficiency.

  • 6 authors
·
Feb 29, 2024

One Timestep is All You Need: Training Spiking Neural Networks with Ultra Low Latency

Spiking Neural Networks (SNNs) are energy efficient alternatives to commonly used deep neural networks (DNNs). Through event-driven information processing, SNNs can reduce the expensive compute requirements of DNNs considerably, while achieving comparable performance. However, high inference latency is a significant hindrance to the edge deployment of deep SNNs. Computation over multiple timesteps not only increases latency as well as overall energy budget due to higher number of operations, but also incurs memory access overhead of fetching membrane potentials, both of which lessen the energy benefits of SNNs. To overcome this bottleneck and leverage the full potential of SNNs, we propose an Iterative Initialization and Retraining method for SNNs (IIR-SNN) to perform single shot inference in the temporal axis. The method starts with an SNN trained with T timesteps (T>1). Then at each stage of latency reduction, the network trained at previous stage with higher timestep is utilized as initialization for subsequent training with lower timestep. This acts as a compression method, as the network is gradually shrunk in the temporal domain. In this paper, we use direct input encoding and choose T=5, since as per literature, it is the minimum required latency to achieve satisfactory performance on ImageNet. The proposed scheme allows us to obtain SNNs with up to unit latency, requiring a single forward pass during inference. We achieve top-1 accuracy of 93.05%, 70.15% and 67.71% on CIFAR-10, CIFAR-100 and ImageNet, respectively using VGG16, with just 1 timestep. In addition, IIR-SNNs perform inference with 5-2500X reduced latency compared to other state-of-the-art SNNs, maintaining comparable or even better accuracy. Furthermore, in comparison with standard DNNs, the proposed IIR-SNNs provide25-33X higher energy efficiency, while being comparable to them in classification performance.

  • 3 authors
·
Oct 1, 2021

PINN surrogate of Li-ion battery models for parameter inference. Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of 2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. In the low-data availability scenario, the testing error was estimated to 2mV for the SPM surrogate and 10mV for the P2D surrogate which could be mitigated with additional data.

  • 9 authors
·
Dec 28, 2023

PINN surrogate of Li-ion battery models for parameter inference. Part I: Implementation and multi-fidelity hierarchies for the single-particle model

To plan and optimize energy storage demands that account for Li-ion battery aging dynamics, techniques need to be developed to diagnose battery internal states accurately and rapidly. This study seeks to reduce the computational resources needed to determine a battery's internal states by replacing physics-based Li-ion battery models -- such as the single-particle model (SPM) and the pseudo-2D (P2D) model -- with a physics-informed neural network (PINN) surrogate. The surrogate model makes high-throughput techniques, such as Bayesian calibration, tractable to determine battery internal parameters from voltage responses. This manuscript is the first of a two-part series that introduces PINN surrogates of Li-ion battery models for parameter inference (i.e., state-of-health diagnostics). In this first part, a method is presented for constructing a PINN surrogate of the SPM. A multi-fidelity hierarchical training, where several neural nets are trained with multiple physics-loss fidelities is shown to significantly improve the surrogate accuracy when only training on the governing equation residuals. The implementation is made available in a companion repository (https://github.com/NREL/pinnstripes). The techniques used to develop a PINN surrogate of the SPM are extended in Part II for the PINN surrogate for the P2D battery model, and explore the Bayesian calibration capabilities of both surrogates.

  • 9 authors
·
Dec 28, 2023

Inducing High Energy-Latency of Large Vision-Language Models with Verbose Images

Large vision-language models (VLMs) such as GPT-4 have achieved exceptional performance across various multi-modal tasks. However, the deployment of VLMs necessitates substantial energy consumption and computational resources. Once attackers maliciously induce high energy consumption and latency time (energy-latency cost) during inference of VLMs, it will exhaust computational resources. In this paper, we explore this attack surface about availability of VLMs and aim to induce high energy-latency cost during inference of VLMs. We find that high energy-latency cost during inference of VLMs can be manipulated by maximizing the length of generated sequences. To this end, we propose verbose images, with the goal of crafting an imperceptible perturbation to induce VLMs to generate long sentences during inference. Concretely, we design three loss objectives. First, a loss is proposed to delay the occurrence of end-of-sequence (EOS) token, where EOS token is a signal for VLMs to stop generating further tokens. Moreover, an uncertainty loss and a token diversity loss are proposed to increase the uncertainty over each generated token and the diversity among all tokens of the whole generated sequence, respectively, which can break output dependency at token-level and sequence-level. Furthermore, a temporal weight adjustment algorithm is proposed, which can effectively balance these losses. Extensive experiments demonstrate that our verbose images can increase the length of generated sequences by 7.87 times and 8.56 times compared to original images on MS-COCO and ImageNet datasets, which presents potential challenges for various applications. Our code is available at https://github.com/KuofengGao/Verbose_Images.

  • 7 authors
·
Jan 20, 2024

Augmenting Hessians with Inter-Layer Dependencies for Mixed-Precision Post-Training Quantization

Efficiently serving neural network models with low latency is becoming more challenging due to increasing model complexity and parameter count. Model quantization offers a solution which simultaneously reduces memory footprint and compute requirements. However, aggressive quantization may lead to an unacceptable loss in model accuracy owing to differences in sensitivity to numerical imperfection across different layers in the model. To address this challenge, we propose a mixed-precision post training quantization (PTQ) approach that assigns different numerical precisions to tensors in a network based on their specific needs, for a reduced memory footprint and improved latency while preserving model accuracy. Previous works rely on layer-wise Hessian information to determine numerical precision, but as we demonstrate, Hessian estimation is typically insufficient in determining an effective ordering of layer sensitivities. We address this by augmenting the estimated Hessian with additional information to capture inter-layer dependencies. We demonstrate that this consistently improves PTQ performance along the accuracy-latency Pareto frontier across multiple models. Our method combines second-order information and inter-layer dependencies to guide a bisection search, finding quantization configurations within a user-configurable model accuracy degradation range. We evaluate the effectiveness of our method on the ResNet50, MobileNetV2, and BERT models. Our experiments demonstrate latency reductions compared to a 16-bit baseline of 25.48%, 21.69%, and 33.28% respectively, while maintaining model accuracy to within 99.99% of the baseline model.

  • 10 authors
·
Jun 7, 2023

Target-based Surrogates for Stochastic Optimization

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

  • 5 authors
·
Feb 6, 2023

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions

The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identifying the mechanism and estimating the rate of thermally activated events within the harmonic approximation of transition state theory. When combined directly with electronic structure calculations, the number of energy and atomic force evaluations needed for convergence is a primary issue. Here, we describe an efficient implementation of Gaussian process regression (GPR) acceleration of the minimum mode following method where a dimer is used to estimate the lowest eigenmode of the Hessian. A surrogate energy surface is constructed and updated after each electronic structure calculation. The method is applied to a test set of 500 molecular reactions previously generated by Hermez and coworkers [J. Chem. Theory Comput. 18, 6974 (2022)]. An order of magnitude reduction in the number of electronic structure calculations needed to reach the saddle point configurations is obtained by using the GPR compared to the dimer method. Despite the wide range in stiffness of the molecular degrees of freedom, the calculations are carried out using Cartesian coordinates and are found to require similar number of electronic structure calculations as an elaborate internal coordinate method implemented in the Sella software package. The present implementation of the GPR surrogate model in C++ is efficient enough for the wall time of the saddle point searches to be reduced in 3 out of 4 cases even though the calculations are carried out at a low Hartree-Fock level.

  • 5 authors
·
May 18

A Benchmark Time Series Dataset for Semiconductor Fabrication Manufacturing Constructed using Component-based Discrete-Event Simulation Models

Advancements in high-computing devices increase the necessity for improved and new understanding and development of smart manufacturing factories. Discrete-event models with simulators have been shown to be critical to architect, designing, building, and operating the manufacturing of semiconductor chips. The diffusion, implantation, and lithography machines have intricate processes due to their feedforward and feedback connectivity. The dataset collected from simulations of the factory models holds the promise of generating valuable machine-learning models. As surrogate data-based models, their executions are highly efficient compared to the physics-based counterpart models. For the development of surrogate models, it is beneficial to have publicly available benchmark simulation models that are grounded in factory models that have concise structures and accurate behaviors. Hence, in this research, a dataset is devised and constructed based on a benchmark model of an Intel semiconductor fabrication factory. The model is formalized using the Parallel Discrete-Event System Specification and executed using the DEVS-Suite simulator. The time series dataset is constructed using discrete-event time trajectories. This dataset is further analyzed and used to develop baseline univariate and multivariate machine learning models. The dataset can also be utilized in the machine learning community for behavioral analysis based on formalized and scalable component-based discrete-event models and simulations.

  • 4 authors
·
Aug 17, 2024

PVT++: A Simple End-to-End Latency-Aware Visual Tracking Framework

Visual object tracking is essential to intelligent robots. Most existing approaches have ignored the online latency that can cause severe performance degradation during real-world processing. Especially for unmanned aerial vehicles (UAVs), where robust tracking is more challenging and onboard computation is limited, the latency issue can be fatal. In this work, we present a simple framework for end-to-end latency-aware tracking, i.e., end-to-end predictive visual tracking (PVT++). Unlike existing solutions that naively append Kalman Filters after trackers, PVT++ can be jointly optimized, so that it takes not only motion information but can also leverage the rich visual knowledge in most pre-trained tracker models for robust prediction. Besides, to bridge the training-evaluation domain gap, we propose a relative motion factor, empowering PVT++ to generalize to the challenging and complex UAV tracking scenes. These careful designs have made the small-capacity lightweight PVT++ a widely effective solution. Additionally, this work presents an extended latency-aware evaluation benchmark for assessing an any-speed tracker in the online setting. Empirical results on a robotic platform from the aerial perspective show that PVT++ can achieve significant performance gain on various trackers and exhibit higher accuracy than prior solutions, largely mitigating the degradation brought by latency.

  • 7 authors
·
Nov 21, 2022

PALBERT: Teaching ALBERT to Ponder

Currently, pre-trained models can be considered the default choice for a wide range of NLP tasks. Despite their SoTA results, there is practical evidence that these models may require a different number of computing layers for different input sequences, since evaluating all layers leads to overconfidence in wrong predictions (namely overthinking). This problem can potentially be solved by implementing adaptive computation time approaches, which were first designed to improve inference speed. Recently proposed PonderNet may be a promising solution for performing an early exit by treating the exit layer's index as a latent variable. However, the originally proposed exit criterion, relying on sampling from trained posterior distribution on the probability of exiting from the i-th layer, introduces major variance in exit layer indices, significantly reducing the resulting model's performance. In this paper, we propose improving PonderNet with a novel deterministic Q-exit criterion and a revisited model architecture. We adapted the proposed mechanism to ALBERT and RoBERTa and compared it with recent methods for performing an early exit. We observed that the proposed changes can be considered significant improvements on the original PonderNet architecture and outperform PABEE on a wide range of GLUE tasks. In addition, we also performed an in-depth ablation study of the proposed architecture to further understand Lambda layers and their performance.

  • 2 authors
·
Apr 7, 2022

FlexiBERT: Are Current Transformer Architectures too Homogeneous and Rigid?

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. Training such models and exploring their hyperparameter space, however, is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, analysis has been limited to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

  • 4 authors
·
May 23, 2022

OSCAR: One-Step Diffusion Codec Across Multiple Bit-rates

Pretrained latent diffusion models have shown strong potential for lossy image compression, owing to their powerful generative priors. Most existing diffusion-based methods reconstruct images by iteratively denoising from random noise, guided by compressed latent representations. While these approaches have achieved high reconstruction quality, their multi-step sampling process incurs substantial computational overhead. Moreover, they typically require training separate models for different compression bit-rates, leading to significant training and storage costs. To address these challenges, we propose a one-step diffusion codec across multiple bit-rates. termed OSCAR. Specifically, our method views compressed latents as noisy variants of the original latents, where the level of distortion depends on the bit-rate. This perspective allows them to be modeled as intermediate states along a diffusion trajectory. By establishing a mapping from the compression bit-rate to a pseudo diffusion timestep, we condition a single generative model to support reconstructions at multiple bit-rates. Meanwhile, we argue that the compressed latents retain rich structural information, thereby making one-step denoising feasible. Thus, OSCAR replaces iterative sampling with a single denoising pass, significantly improving inference efficiency. Extensive experiments demonstrate that OSCAR achieves superior performance in both quantitative and visual quality metrics. The code and models will be released at https://github.com/jp-guo/OSCAR.

  • 9 authors
·
May 21

Training Deep Surrogate Models with Large Scale Online Learning

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of computationally demanding solvers. Recently, deep learning algorithms have emerged as a viable alternative for obtaining fast solutions for PDEs. Models are usually trained on synthetic data generated by solvers, stored on disk and read back for training. This paper advocates that relying on a traditional static dataset to train these models does not allow the full benefit of the solver to be used as a data generator. It proposes an open source online training framework for deep surrogate models. The framework implements several levels of parallelism focused on simultaneously generating numerical simulations and training deep neural networks. This approach suppresses the I/O and storage bottleneck associated with disk-loaded datasets, and opens the way to training on significantly larger datasets. Experiments compare the offline and online training of four surrogate models, including state-of-the-art architectures. Results indicate that exposing deep surrogate models to more dataset diversity, up to hundreds of GB, can increase model generalization capabilities. Fully connected neural networks, Fourier Neural Operator (FNO), and Message Passing PDE Solver prediction accuracy is improved by 68%, 16% and 7%, respectively.

  • 5 authors
·
Jun 28, 2023

Standardized Benchmark Dataset for Localized Exposure to a Realistic Source at 10-90 GHz

The lack of freely available standardized datasets represents an aggravating factor during the development and testing the performance of novel computational techniques in exposure assessment and dosimetry research. This hinders progress as researchers are required to generate numerical data (field, power and temperature distribution) anew using simulation software for each exposure scenario. Other than being time consuming, this approach is highly susceptible to errors that occur during the configuration of the electromagnetic model. To address this issue, in this paper, the limited available data on the incident power density and resultant maximum temperature rise on the skin surface considering various steady-state exposure scenarios at 10-90 GHz have been statistically modeled. The synthetic data have been sampled from the fitted statistical multivariate distribution with respect to predetermined dosimetric constraints. We thus present a comprehensive and open-source dataset compiled of the high-fidelity numerical data considering various exposures to a realistic source. Furthermore, different surrogate models for predicting maximum temperature rise on the skin surface were fitted based on the synthetic dataset. All surrogate models were tested on the originally available data where satisfactory predictive performance has been demonstrated. A simple technique of combining quadratic polynomial and tensor-product spline surrogates, each operating on its own cluster of data, has achieved the lowest mean absolute error of 0.058 {\deg}C. Therefore, overall experimental results indicate the validity of the proposed synthetic dataset.

  • 3 authors
·
May 3, 2023

ShadowKV: KV Cache in Shadows for High-Throughput Long-Context LLM Inference

With the widespread deployment of long-context large language models (LLMs), there has been a growing demand for efficient support of high-throughput inference. However, as the key-value (KV) cache expands with the sequence length, the increasing memory footprint and the need to access it for each token generation both result in low throughput when serving long-context LLMs. While various dynamic sparse attention methods have been proposed to speed up inference while maintaining generation quality, they either fail to sufficiently reduce GPU memory consumption or introduce significant decoding latency by offloading the KV cache to the CPU. We present ShadowKV, a high-throughput long-context LLM inference system that stores the low-rank key cache and offloads the value cache to reduce the memory footprint for larger batch sizes and longer sequences. To minimize decoding latency, ShadowKV employs an accurate KV selection strategy that reconstructs minimal sparse KV pairs on-the-fly. By evaluating ShadowKV on a broad range of benchmarks, including RULER, LongBench, and Needle In A Haystack, and models like Llama-3.1-8B, Llama-3-8B-1M, GLM-4-9B-1M, Yi-9B-200K, Phi-3-Mini-128K, and Qwen2-7B-128K, we demonstrate that it can support up to 6times larger batch sizes and boost throughput by up to 3.04times on an A100 GPU without sacrificing accuracy, even surpassing the performance achievable with infinite batch size under the assumption of infinite GPU memory. The code is available at https://github.com/bytedance/ShadowKV.

ByteDance-Seed ByteDance Seed
·
Oct 28, 2024 2

DeepSpeed-FastGen: High-throughput Text Generation for LLMs via MII and DeepSpeed-Inference

The deployment and scaling of large language models (LLMs) have become critical as they permeate various applications, demanding high-throughput and low-latency serving systems. Existing frameworks struggle to balance these requirements, especially for workloads with long prompts. This paper introduces DeepSpeed-FastGen, a system that employs Dynamic SplitFuse, a novel prompt and generation composition strategy, to deliver up to 2.3x higher effective throughput, 2x lower latency on average, and up to 3.7x lower (token-level) tail latency, compared to state-of-the-art systems like vLLM. We leverage a synergistic combination of DeepSpeed-MII and DeepSpeed-Inference to provide an efficient and easy-to-use serving system for LLMs. DeepSpeed-FastGen's advanced implementation supports a range of models and offers both non-persistent and persistent deployment options, catering to diverse user scenarios from interactive sessions to long-running applications. We present a detailed benchmarking methodology, analyze the performance through latency-throughput curves, and investigate scalability via load balancing. Our evaluations demonstrate substantial improvements in throughput and latency across various models and hardware configurations. We discuss our roadmap for future enhancements, including broader model support and new hardware backends. The DeepSpeed-FastGen code is readily available for community engagement and contribution.

  • 11 authors
·
Jan 9, 2024 2

ROOT: Rethinking Offline Optimization as Distributional Translation via Probabilistic Bridge

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

  • 5 authors
·
Sep 19

EdgeReasoning: Characterizing Reasoning LLM Deployment on Edge GPUs

Edge intelligence paradigm is increasingly demanded by the emerging autonomous systems, such as robotics. Beyond ensuring privacy-preserving operation and resilience in connectivity-limited environments, edge deployment offers significant energy and cost advantages over cloud-based solutions. However, deploying large language models (LLMs) for reasoning tasks on edge GPUs faces critical challenges from strict latency constraints and limited computational resources. To navigate these constraints, developers must balance multiple design factors - choosing reasoning versus non-reasoning architectures, selecting appropriate model sizes, allocating token budgets, and applying test-time scaling strategies - to meet target latency and optimize accuracy. Yet guidance on optimal combinations of these variables remains scarce. In this work, we present EdgeReasoning, a comprehensive study characterizing the deployment of reasoning LLMs on edge GPUs. We systematically quantify latency-accuracy tradeoffs across various LLM architectures and model sizes. We systematically evaluate prompt-based and model-tuning-based techniques for reducing reasoning token length while maintaining performance quality. We further profile test-time scaling methods with varying degrees of parallelism to maximize accuracy under strict latency budgets. Through these analyses, EdgeReasoning maps the Pareto frontier of achievable accuracy-latency configurations, offering systematic guidance for optimal edge deployment of reasoning LLMs.

  • 2 authors
·
Oct 21

Targeting Alignment: Extracting Safety Classifiers of Aligned LLMs

Alignment in large language models (LLMs) is used to enforce guidelines such as safety. Yet, alignment fails in the face of jailbreak attacks that modify inputs to induce unsafe outputs. In this paper, we present and evaluate a method to assess the robustness of LLM alignment. We observe that alignment embeds a safety classifier in the target model that is responsible for deciding between refusal and compliance. We seek to extract an approximation of this classifier, called a surrogate classifier, from the LLM. We develop an algorithm for identifying candidate classifiers from subsets of the LLM model. We evaluate the degree to which the candidate classifiers approximate the model's embedded classifier in benign (F1 score) and adversarial (using surrogates in a white-box attack) settings. Our evaluation shows that the best candidates achieve accurate agreement (an F1 score above 80%) using as little as 20% of the model architecture. Further, we find attacks mounted on the surrogate models can be transferred with high accuracy. For example, a surrogate using only 50% of the Llama 2 model achieved an attack success rate (ASR) of 70%, a substantial improvement over attacking the LLM directly, where we only observed a 22% ASR. These results show that extracting surrogate classifiers is a viable (and highly effective) means for modeling (and therein addressing) the vulnerability of aligned models to jailbreaking attacks.

  • 5 authors
·
Jan 27

CarelessWhisper: Turning Whisper into a Causal Streaming Model

Automatic Speech Recognition (ASR) has seen remarkable progress, with models like OpenAI Whisper and NVIDIA Canary achieving state-of-the-art (SOTA) performance in offline transcription. However, these models are not designed for streaming (online or real-time) transcription, due to limitations in their architecture and training methodology. We propose a method to turn the transformer encoder-decoder model into a low-latency streaming model that is careless about future context. We present an analysis explaining why it is not straightforward to convert an encoder-decoder transformer to a low-latency streaming model. Our proposed method modifies the existing (non-causal) encoder to a causal encoder by fine-tuning both the encoder and decoder using Low-Rank Adaptation (LoRA) and a weakly aligned dataset. We then propose an updated inference mechanism that utilizes the fine-tune causal encoder and decoder to yield greedy and beam-search decoding, and is shown to be locally optimal. Experiments on low-latency chunk sizes (less than 300 msec) show that our fine-tuned model outperforms existing non-fine-tuned streaming approaches in most cases, while using a lower complexity. Additionally, we observe that our training process yields better alignment, enabling a simple method for extracting word-level timestamps. We release our training and inference code, along with the fine-tuned models, to support further research and development in streaming ASR.

  • 3 authors
·
Aug 17

IC-Cache: Efficient Large Language Model Serving via In-context Caching

Large language models (LLMs) have excelled in various applications, yet serving them at scale is challenging due to their substantial resource demands and high latency. Our real-world studies reveal that over 70% of user requests to LLMs have semantically similar counterparts, suggesting the potential for knowledge transfer among requests. However, naively caching and reusing past responses leads to a big quality drop. In this paper, we introduce IC-Cache, a caching system that enables live LLM capability augmentation to improve serving efficiency: by leveraging historical request-response pairs from larger models as in-context examples, IC-Cache empowers small LLMs to imitate and even exceed the compositional abilities (e.g., reasoning) of their larger counterparts, enabling selective offloading of requests to reduce cost and latency. Achieving this live augmentation at scale introduces intricate trade-offs between response quality, latency, and system throughput. For a new request, IC-Cache efficiently selects similar, high-utility examples to prepend them to the new request's input. At scale, it adaptively routes requests across LLMs of varying capabilities, accounting for response quality and serving loads. IC-Cache employs a cost-aware cache replay mechanism that refines example quality offline to maximize online cache utility and efficiency. Evaluations on millions of realistic requests demonstrate that IC-Cache improves LLM serving throughput by 1.4-5.9x and reduces latency by 28-71% without hurting response quality.

  • 10 authors
·
Jan 22

The Importance of Being Scalable: Improving the Speed and Accuracy of Neural Network Interatomic Potentials Across Chemical Domains

Scaling has been critical in improving model performance and generalization in machine learning. It involves how a model's performance changes with increases in model size or input data, as well as how efficiently computational resources are utilized to support this growth. Despite successes in other areas, the study of scaling in Neural Network Interatomic Potentials (NNIPs) remains limited. NNIPs act as surrogate models for ab initio quantum mechanical calculations. The dominant paradigm here is to incorporate many physical domain constraints into the model, such as rotational equivariance. We contend that these complex constraints inhibit the scaling ability of NNIPs, and are likely to lead to performance plateaus in the long run. In this work, we take an alternative approach and start by systematically studying NNIP scaling strategies. Our findings indicate that scaling the model through attention mechanisms is efficient and improves model expressivity. These insights motivate us to develop an NNIP architecture designed for scalability: the Efficiently Scaled Attention Interatomic Potential (EScAIP). EScAIP leverages a multi-head self-attention formulation within graph neural networks, applying attention at the neighbor-level representations. Implemented with highly-optimized attention GPU kernels, EScAIP achieves substantial gains in efficiency--at least 10x faster inference, 5x less memory usage--compared to existing NNIPs. EScAIP also achieves state-of-the-art performance on a wide range of datasets including catalysts (OC20 and OC22), molecules (SPICE), and materials (MPTrj). We emphasize that our approach should be thought of as a philosophy rather than a specific model, representing a proof-of-concept for developing general-purpose NNIPs that achieve better expressivity through scaling, and continue to scale efficiently with increased computational resources and training data.

  • 2 authors
·
Oct 31, 2024

ConsisSR: Delving Deep into Consistency in Diffusion-based Image Super-Resolution

Real-world image super-resolution (Real-ISR) aims at restoring high-quality (HQ) images from low-quality (LQ) inputs corrupted by unknown and complex degradations. In particular, pretrained text-to-image (T2I) diffusion models provide strong generative priors to reconstruct credible and intricate details. However, T2I generation focuses on semantic consistency while Real-ISR emphasizes pixel-level reconstruction, which hinders existing methods from fully exploiting diffusion priors. To address this challenge, we introduce ConsisSR to handle both semantic and pixel-level consistency. Specifically, compared to coarse-grained text prompts, we exploit the more powerful CLIP image embedding and effectively leverage both modalities through our Hybrid Prompt Adapter (HPA) for semantic guidance. Secondly, we introduce Time-aware Latent Augmentation (TALA) to mitigate the inherent gap between T2I generation and Real-ISR consistency requirements. By randomly mixing LQ and HQ latent inputs, our model not only handle timestep-specific diffusion noise but also refine the accumulated latent representations. Last but not least, our GAN-Embedding strategy employs the pretrained Real-ESRGAN model to refine the diffusion start point. This accelerates the inference process to 10 steps while preserving sampling quality, in a training-free manner. Our method demonstrates state-of-the-art performance among both full-scale and accelerated models. The code will be made publicly available.

  • 7 authors
·
Oct 17, 2024

Learning Neural PDE Solvers with Parameter-Guided Channel Attention

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

  • 3 authors
·
Apr 27, 2023

A Tutorial on MRI Reconstruction: From Modern Methods to Clinical Implications

MRI is an indispensable clinical tool, offering a rich variety of tissue contrasts to support broad diagnostic and research applications. Clinical exams routinely acquire multiple structural sequences that provide complementary information for differential diagnosis, while research protocols often incorporate advanced functional, diffusion, spectroscopic, and relaxometry sequences to capture multidimensional insights into tissue structure and composition. However, these capabilities come at the cost of prolonged scan times, which reduce patient throughput, increase susceptibility to motion artifacts, and may require trade-offs in image quality or diagnostic scope. Over the last two decades, advances in image reconstruction algorithms--alongside improvements in hardware and pulse sequence design--have made it possible to accelerate acquisitions while preserving diagnostic quality. Central to this progress is the ability to incorporate prior information to regularize the solutions to the reconstruction problem. In this tutorial, we overview the basics of MRI reconstruction and highlight state-of-the-art approaches, beginning with classical methods that rely on explicit hand-crafted priors, and then turning to deep learning methods that leverage a combination of learned and crafted priors to further push the performance envelope. We also explore the translational aspects and eventual clinical implications of these methods. We conclude by discussing future directions to address remaining challenges in MRI reconstruction. The tutorial is accompanied by a Python toolbox (https://github.com/tutorial-MRI-recon/tutorial) to demonstrate select methods discussed in the article.

  • 7 authors
·
Jul 22

Re-ttention: Ultra Sparse Visual Generation via Attention Statistical Reshape

Diffusion Transformers (DiT) have become the de-facto model for generating high-quality visual content like videos and images. A huge bottleneck is the attention mechanism where complexity scales quadratically with resolution and video length. One logical way to lessen this burden is sparse attention, where only a subset of tokens or patches are included in the calculation. However, existing techniques fail to preserve visual quality at extremely high sparsity levels and might even incur non-negligible compute overheads. % To address this concern, we propose Re-ttention, which implements very high sparse attention for visual generation models by leveraging the temporal redundancy of Diffusion Models to overcome the probabilistic normalization shift within the attention mechanism. Specifically, Re-ttention reshapes attention scores based on the prior softmax distribution history in order to preserve the visual quality of the full quadratic attention at very high sparsity levels. % Experimental results on T2V/T2I models such as CogVideoX and the PixArt DiTs demonstrate that Re-ttention requires as few as 3.1\% of the tokens during inference, outperforming contemporary methods like FastDiTAttn, Sparse VideoGen and MInference. Further, we measure latency to show that our method can attain over 45\% end-to-end % and over 92\% self-attention latency reduction on an H100 GPU at negligible overhead cost. Code available online here: https://github.com/cccrrrccc/Re-ttention{https://github.com/cccrrrccc/Re-ttention}

  • 5 authors
·
May 28 2

PDE-Refiner: Achieving Accurate Long Rollouts with Neural PDE Solvers

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

  • 5 authors
·
Aug 10, 2023

Using Imperfect Surrogates for Downstream Inference: Design-based Supervised Learning for Social Science Applications of Large Language Models

In computational social science (CSS), researchers analyze documents to explain social and political phenomena. In most scenarios, CSS researchers first obtain labels for documents and then explain labels using interpretable regression analyses in the second step. One increasingly common way to annotate documents cheaply at scale is through large language models (LLMs). However, like other scalable ways of producing annotations, such surrogate labels are often imperfect and biased. We present a new algorithm for using imperfect annotation surrogates for downstream statistical analyses while guaranteeing statistical properties -- like asymptotic unbiasedness and proper uncertainty quantification -- which are fundamental to CSS research. We show that direct use of surrogate labels in downstream statistical analyses leads to substantial bias and invalid confidence intervals, even with high surrogate accuracy of 80-90%. To address this, we build on debiased machine learning to propose the design-based supervised learning (DSL) estimator. DSL employs a doubly-robust procedure to combine surrogate labels with a smaller number of high-quality, gold-standard labels. Our approach guarantees valid inference for downstream statistical analyses, even when surrogates are arbitrarily biased and without requiring stringent assumptions, by controlling the probability of sampling documents for gold-standard labeling. Both our theoretical analysis and experimental results show that DSL provides valid statistical inference while achieving root mean squared errors comparable to existing alternatives that focus only on prediction without inferential guarantees.

  • 4 authors
·
Jun 7, 2023

SoundReactor: Frame-level Online Video-to-Audio Generation

Prevailing Video-to-Audio (V2A) generation models operate offline, assuming an entire video sequence or chunks of frames are available beforehand. This critically limits their use in interactive applications such as live content creation and emerging generative world models. To address this gap, we introduce the novel task of frame-level online V2A generation, where a model autoregressively generates audio from video without access to future video frames. Furthermore, we propose SoundReactor, which, to the best of our knowledge, is the first simple yet effective framework explicitly tailored for this task. Our design enforces end-to-end causality and targets low per-frame latency with audio-visual synchronization. Our model's backbone is a decoder-only causal transformer over continuous audio latents. For vision conditioning, it leverages grid (patch) features extracted from the smallest variant of the DINOv2 vision encoder, which are aggregated into a single token per frame to maintain end-to-end causality and efficiency. The model is trained through a diffusion pre-training followed by consistency fine-tuning to accelerate the diffusion head decoding. On a benchmark of diverse gameplay videos from AAA titles, our model successfully generates semantically and temporally aligned, high-quality full-band stereo audio, validated by both objective and human evaluations. Furthermore, our model achieves low per-frame waveform-level latency (26.3ms with the head NFE=1, 31.5ms with NFE=4) on 30FPS, 480p videos using a single H100. Demo samples are available at https://koichi-saito-sony.github.io/soundreactor/.

Sony Sony
·
Oct 2 2

A Tutorial on Bayesian Optimization

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

  • 1 authors
·
Jul 8, 2018

ProxylessNAS: Direct Neural Architecture Search on Target Task and Hardware

Neural architecture search (NAS) has a great impact by automatically designing effective neural network architectures. However, the prohibitive computational demand of conventional NAS algorithms (e.g. 10^4 GPU hours) makes it difficult to directly search the architectures on large-scale tasks (e.g. ImageNet). Differentiable NAS can reduce the cost of GPU hours via a continuous representation of network architecture but suffers from the high GPU memory consumption issue (grow linearly w.r.t. candidate set size). As a result, they need to utilize~proxy tasks, such as training on a smaller dataset, or learning with only a few blocks, or training just for a few epochs. These architectures optimized on proxy tasks are not guaranteed to be optimal on the target task. In this paper, we present ProxylessNAS that can directly learn the architectures for large-scale target tasks and target hardware platforms. We address the high memory consumption issue of differentiable NAS and reduce the computational cost (GPU hours and GPU memory) to the same level of regular training while still allowing a large candidate set. Experiments on CIFAR-10 and ImageNet demonstrate the effectiveness of directness and specialization. On CIFAR-10, our model achieves 2.08\% test error with only 5.7M parameters, better than the previous state-of-the-art architecture AmoebaNet-B, while using 6times fewer parameters. On ImageNet, our model achieves 3.1\% better top-1 accuracy than MobileNetV2, while being 1.2times faster with measured GPU latency. We also apply ProxylessNAS to specialize neural architectures for hardware with direct hardware metrics (e.g. latency) and provide insights for efficient CNN architecture design.

  • 3 authors
·
Dec 2, 2018

Once-for-All: Train One Network and Specialize it for Efficient Deployment

We address the challenging problem of efficient inference across many devices and resource constraints, especially on edge devices. Conventional approaches either manually design or use neural architecture search (NAS) to find a specialized neural network and train it from scratch for each case, which is computationally prohibitive (causing CO_2 emission as much as 5 cars' lifetime) thus unscalable. In this work, we propose to train a once-for-all (OFA) network that supports diverse architectural settings by decoupling training and search, to reduce the cost. We can quickly get a specialized sub-network by selecting from the OFA network without additional training. To efficiently train OFA networks, we also propose a novel progressive shrinking algorithm, a generalized pruning method that reduces the model size across many more dimensions than pruning (depth, width, kernel size, and resolution). It can obtain a surprisingly large number of sub-networks (> 10^{19}) that can fit different hardware platforms and latency constraints while maintaining the same level of accuracy as training independently. On diverse edge devices, OFA consistently outperforms state-of-the-art (SOTA) NAS methods (up to 4.0% ImageNet top1 accuracy improvement over MobileNetV3, or same accuracy but 1.5x faster than MobileNetV3, 2.6x faster than EfficientNet w.r.t measured latency) while reducing many orders of magnitude GPU hours and CO_2 emission. In particular, OFA achieves a new SOTA 80.0% ImageNet top-1 accuracy under the mobile setting (<600M MACs). OFA is the winning solution for the 3rd Low Power Computer Vision Challenge (LPCVC), DSP classification track and the 4th LPCVC, both classification track and detection track. Code and 50 pre-trained models (for many devices & many latency constraints) are released at https://github.com/mit-han-lab/once-for-all.

  • 5 authors
·
Aug 26, 2019

Surrogate Modeling of Car Drag Coefficient with Depth and Normal Renderings

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

  • 5 authors
·
May 26, 2023

TimelyGPT: Extrapolatable Transformer Pre-training for Long-term Time-Series Forecasting in Healthcare

Large-scale pre-trained models (PTMs) such as BERT and GPT have recently achieved great success in Natural Language Processing and Computer Vision domains. However, the development of PTMs on healthcare time-series data is lagging behind.This underscores the limitations of the existing transformer-based architectures, particularly their scalability to handle large-scale time series and ability to capture long-term temporal dependencies. In this study, we present Timely Generative Pre-trained Transformer (TimelyGPT). TimelyGPT employs an extrapolatable position (xPos) embedding to encode trend and periodic patterns into time-series representations. It also integrates recurrent attention and temporal convolution modules to effectively capture global-local temporal dependencies. We evaluated TimelyGPT on two large-scale healthcare time series datasets corresponding to continuous biosignals and irregularly-sampled time series, respectively. Our experiments show that during pre-training, TimelyGPT excels in learning time-series representations from continuously monitored biosignals and irregularly-sampled time series data commonly observed in longitudinal electronic health records (EHRs). In forecasting continuous biosignals, TimelyGPT achieves accurate extrapolation up to 6,000 timesteps of body temperature during the sleep stage transition, given a short look-up window (i.e., prompt) containing only 2,000 timesteps. For irregularly-sampled time series, TimelyGPT with a proposed time-specific inference demonstrates high top recall scores in predicting future diagnoses using early diagnostic records, effectively handling irregular intervals between clinical records. Together, we envision TimelyGPT to be useful in a broad spectrum of health domains, including long-term patient health state forecasting and patient risk trajectory prediction.

  • 6 authors
·
Nov 29, 2023

REAPER: Reasoning based Retrieval Planning for Complex RAG Systems

Complex dialog systems often use retrieved evidence to facilitate factual responses. Such RAG (Retrieval Augmented Generation) systems retrieve from massive heterogeneous data stores that are usually architected as multiple indexes or APIs instead of a single monolithic source. For a given query, relevant evidence needs to be retrieved from one or a small subset of possible retrieval sources. Complex queries can even require multi-step retrieval. For example, a conversational agent on a retail site answering customer questions about past orders will need to retrieve the appropriate customer order first and then the evidence relevant to the customer's question in the context of the ordered product. Most RAG Agents handle such Chain-of-Thought (CoT) tasks by interleaving reasoning and retrieval steps. However, each reasoning step directly adds to the latency of the system. For large models (>100B parameters) this latency cost is significant -- in the order of multiple seconds. Multi-agent systems may classify the query to a single Agent associated with a retrieval source, though this means that a (small) classification model dictates the performance of a large language model. In this work we present REAPER (REAsoning-based PlannER) - an LLM based planner to generate retrieval plans in conversational systems. We show significant gains in latency over Agent-based systems and are able to scale easily to new and unseen use cases as compared to classification-based planning. Though our method can be applied to any RAG system, we show our results in the context of Rufus -- Amazon's conversational shopping assistant.

  • 6 authors
·
Jul 26, 2024

Encoding Time-Series Explanations through Self-Supervised Model Behavior Consistency

Interpreting time series models is uniquely challenging because it requires identifying both the location of time series signals that drive model predictions and their matching to an interpretable temporal pattern. While explainers from other modalities can be applied to time series, their inductive biases do not transfer well to the inherently challenging interpretation of time series. We present TimeX, a time series consistency model for training explainers. TimeX trains an interpretable surrogate to mimic the behavior of a pretrained time series model. It addresses the issue of model faithfulness by introducing model behavior consistency, a novel formulation that preserves relations in the latent space induced by the pretrained model with relations in the latent space induced by TimeX. TimeX provides discrete attribution maps and, unlike existing interpretability methods, it learns a latent space of explanations that can be used in various ways, such as to provide landmarks to visually aggregate similar explanations and easily recognize temporal patterns. We evaluate TimeX on eight synthetic and real-world datasets and compare its performance against state-of-the-art interpretability methods. We also conduct case studies using physiological time series. Quantitative evaluations demonstrate that TimeX achieves the highest or second-highest performance in every metric compared to baselines across all datasets. Through case studies, we show that the novel components of TimeX show potential for training faithful, interpretable models that capture the behavior of pretrained time series models.

  • 6 authors
·
Jun 3, 2023 1

Faster Diffusion: Rethinking the Role of UNet Encoder in Diffusion Models

One of the key components within diffusion models is the UNet for noise prediction. While several works have explored basic properties of the UNet decoder, its encoder largely remains unexplored. In this work, we conduct the first comprehensive study of the UNet encoder. We empirically analyze the encoder features and provide insights to important questions regarding their changes at the inference process. In particular, we find that encoder features change gently, whereas the decoder features exhibit substantial variations across different time-steps. This finding inspired us to omit the encoder at certain adjacent time-steps and reuse cyclically the encoder features in the previous time-steps for the decoder. Further based on this observation, we introduce a simple yet effective encoder propagation scheme to accelerate the diffusion sampling for a diverse set of tasks. By benefiting from our propagation scheme, we are able to perform in parallel the decoder at certain adjacent time-steps. Additionally, we introduce a prior noise injection method to improve the texture details in the generated image. Besides the standard text-to-image task, we also validate our approach on other tasks: text-to-video, personalized generation and reference-guided generation. Without utilizing any knowledge distillation technique, our approach accelerates both the Stable Diffusion (SD) and the DeepFloyd-IF models sampling by 41% and 24% respectively, while maintaining high-quality generation performance. Our code is available in https://github.com/hutaiHang/Faster-Diffusion{FasterDiffusion}.

  • 8 authors
·
Dec 15, 2023 1

DDoS-UNet: Incorporating temporal information using Dynamic Dual-channel UNet for enhancing super-resolution of dynamic MRI

Magnetic resonance imaging (MRI) provides high spatial resolution and excellent soft-tissue contrast without using harmful ionising radiation. Dynamic MRI is an essential tool for interventions to visualise movements or changes of the target organ. However, such MRI acquisition with high temporal resolution suffers from limited spatial resolution - also known as the spatio-temporal trade-off of dynamic MRI. Several approaches, including deep learning based super-resolution approaches, have been proposed to mitigate this trade-off. Nevertheless, such an approach typically aims to super-resolve each time-point separately, treating them as individual volumes. This research addresses the problem by creating a deep learning model which attempts to learn both spatial and temporal relationships. A modified 3D UNet model, DDoS-UNet, is proposed - which takes the low-resolution volume of the current time-point along with a prior image volume. Initially, the network is supplied with a static high-resolution planning scan as the prior image along with the low-resolution input to super-resolve the first time-point. Then it continues step-wise by using the super-resolved time-points as the prior image while super-resolving the subsequent time-points. The model performance was tested with 3D dynamic data that was undersampled to different in-plane levels. The proposed network achieved an average SSIM value of 0.951pm0.017 while reconstructing the lowest resolution data (i.e. only 4\% of the k-space acquired) - which could result in a theoretical acceleration factor of 25. The proposed approach can be used to reduce the required scan-time while achieving high spatial resolution.

  • 5 authors
·
Feb 10, 2022