Atleus: Accelerating Transformers on the Edge Enabled by 3D Heterogeneous Manycore Architectures

Transformer architectures have become the standard neural network model for various machine learning applications including natural language processing and computer vision. However, the compute and memory requirements introduced by transformer models make them challenging to adopt for edge applications. Furthermore, fine-tuning pre-trained transformers (e.g., foundation models) is a common task to enhance the model's predictive performance on specific tasks/applications. Existing transformer accelerators are oblivious to complexities introduced by fine-tuning. In this paper, we propose the design of a three-dimensional (3D) heterogeneous architecture referred to as Atleus that incorporates heterogeneous computing resources specifically optimized to accelerate transformer models for the dual purposes of fine-tuning and inference. Specifically, Atleus utilizes non-volatile memory and systolic array for accelerating transformer computational kernels using an integrated 3D platform. Moreover, we design a suitable NoC to achieve high performance and energy efficiency. Finally, Atleus adopts an effective quantization scheme to support model compression. Experimental results demonstrate that Atleus outperforms existing state-of-the-art by up to 56x and 64.5x in terms of performance and energy efficiency respectively

Constraint-Adaptive Policy Switching for Offline Safe Reinforcement Learning

Offline safe reinforcement learning (OSRL) involves learning a decision-making policy to maximize rewards from a fixed batch of training data to satisfy pre-defined safety constraints. However, adapting to varying safety constraints during deployment without retraining remains an under-explored challenge. To address this challenge, we introduce constraint-adaptive policy switching (CAPS), a wrapper framework around existing offline RL algorithms. During training, CAPS uses offline data to learn multiple policies with a shared representation that optimize different reward and cost trade-offs. During testing, CAPS switches between those policies by selecting at each state the policy that maximizes future rewards among those that satisfy the current cost constraint. Our experiments on 38 tasks from the DSRL benchmark demonstrate that CAPS consistently outperforms existing methods, establishing a strong wrapper-based baseline for OSRL. The code is publicly available at https://github.com/yassineCh/CAPS.

Non-Myopic Multi-Objective Bayesian Optimization

We consider the problem of finite-horizon sequential experimental design to solve multi-objective optimization (MOO) of expensive black-box objective functions. This problem arises in many real-world applications, including materials design, where we have a small resource budget to make and evaluate candidate materials in the lab. We solve this problem using the framework of Bayesian optimization (BO) and propose the first set of non-myopic methods for MOO problems. Prior work on non-myopic BO for single-objective problems relies on the Bellman optimality principle to handle the lookahead reasoning process. However, this principle does not hold for most MOO problems because the reward function needs to satisfy some conditions: scalar variable, monotonicity, and additivity. We address this challenge by using hypervolume improvement (HVI) as our scalarization approach, which allows us to use a lower-bound on the Bellman equation to approximate the finite-horizon using a batch expected hypervolume improvement (EHVI) acquisition function (AF) for MOO. Our formulation naturally allows us to use other improvement-based scalarizations and compare their efficacy to HVI. We derive three non-myopic AFs for MOBO: 1) the Nested AF, which is based on the exact computation of the lower bound, 2) the Joint AF, which is a lower bound on the nested AF, and 3) the BINOM AF, which is a fast and approximate variant based on batch multi-objective acquisition functions. Our experiments on multiple diverse real-world MO problems demonstrate that our non-myopic AFs substantially improve performance over the existing myopic AFs for MOBO.

HeTraX: Energy Efficient 3D Heterogeneous Manycore Architecture for Transformer Acceleration

Transformers have revolutionized deep learning and generative modeling to enable unprecedented advancements in natural language processing tasks and beyond. However, designing hardware accelerators for executing transformer models is challenging due to the wide variety of computing kernels involved in the transformer architecture. Existing accelerators are either inadequate to accelerate end-to-end transformer models or suffer notable thermal limitations. In this paper, we propose the design of a three-dimensional heterogeneous architecture referred to as HeTraX specifically optimized to accelerate end-to-end transformer models. HeTraX employs hardware resources aligned with the computational kernels of transformers and optimizes both performance and energy. Experimental results show that HeTraX outperforms existing state-of-the-art by up to 5.6x in speedup and improves EDP by 14.5x while ensuring thermally feasibility.

Active Learning for Derivative-Based Global Sensitivity Analysis with Gaussian Processes

We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the impact of the thickness of various components on safety objectives. Since function evaluations are expensive, we use active learning to prioritize experimental resources where they yield the most value. We propose novel active learning acquisition functions that directly target key quantities of derivative-based global sensitivity measures (DGSMs) under Gaussian process surrogate models. We showcase the first application of active learning directly to DGSMs, and develop tractable uncertainty reduction and information gain acquisition functions for these measures. Through comprehensive evaluation on synthetic and real-world problems, our study demonstrates how these active learning acquisition strategies substantially enhance the sample efficiency of DGSM estimation, particularly with limited evaluation budgets. Our work paves the way for more efficient and accurate sensitivity analysis in various scientific and engineering applications.

Pareto Front-Diverse Batch Multi-Objective Bayesian Optimization

We consider the problem of multi-objective optimization (MOO) of expensive black-box functions with the goal of discovering high-quality and diverse Pareto fronts where we are allowed to evaluate a batch of inputs. This problem arises in many real-world applications including penicillin production where diversity of solutions is critical. We solve this problem in the framework of Bayesian optimization (BO) and propose a novel approach referred to as Pareto front-Diverse Batch Multi-Objective BO (PDBO). PDBO tackles two important challenges: 1) How to automatically select the best acquisition function in each BO iteration, and 2) How to select a diverse batch of inputs by considering multiple objectives. We propose principled solutions to address these two challenges. First, PDBO employs a multi-armed bandit approach to select one acquisition function from a given library. We solve a cheap MOO problem by assigning the selected acquisition function for each expensive objective function to obtain a candidate set of inputs for evaluation. Second, it utilizes Determinantal Point Processes (DPPs) to choose a Pareto-front-diverse batch of inputs for evaluation from the candidate set obtained from the first step. The key parameters for the methods behind these two steps are updated after each round of function evaluations. Experiments on multiple MOO benchmarks demonstrate that PDBO outperforms prior methods in terms of both the quality and diversity of Pareto solutions.

Conformal Prediction for Class-wise Coverage via Augmented Label Rank Calibration

Conformal prediction (CP) is an emerging uncertainty quantification framework that allows us to construct a prediction set to cover the true label with a pre-specified marginal or conditional probability. Although the valid coverage guarantee has been extensively studied for classification problems, CP often produces large prediction sets which may not be practically useful. This issue is exacerbated for the setting of class-conditional coverage on imbalanced classification tasks. This paper proposes the Rank Calibrated Class-conditional CP (RC3P) algorithm to reduce the prediction set sizes to achieve class-conditional coverage, where the valid coverage holds for each class. In contrast to the standard class-conditional CP (CCP) method that uniformly thresholds the class-wise conformity score for each class, the augmented label rank calibration step allows RC3P to selectively iterate this class-wise thresholding subroutine only for a subset of classes whose class-wise top-k error is small. We prove that agnostic to the classifier and data distribution, RC3P achieves class-wise coverage. We also show that RC3P reduces the size of prediction sets compared to the CCP method. Comprehensive experiments on multiple real-world datasets demonstrate that RC3P achieves class-wise coverage and 26.25% reduction in prediction set sizes on average.

Streamflow Prediction with Uncertainty Quantification for Water Management: A Constrained Reasoning and Learning Approach

Predicting the spatiotemporal variation in streamflow along with uncertainty quantification enables decision-making for sustainable management of scarce water resources. Process-based hydrological models (aka physics-based models) are based on physical laws, but using simplifying assumptions which can lead to poor accuracy. Data-driven approaches offer a powerful alternative, but they require large amount of training data and tend to produce predictions that are inconsistent with physical laws. This paper studies a constrained reasoning and learning (CRL) approach where physical laws represented as logical constraints are integrated as a layer in the deep neural network. To address small data setting, we develop a theoretically-grounded training approach to improve the generalization accuracy of deep models. For uncertainty quantification, we combine the synergistic strengths of Gaussian processes (GPs) and deep temporal models (i.e., deep models for time-series forecasting) by passing the learned latent representation as input to a standard distance-based kernel. Experiments on multiple real-world datasets demonstrate the effectiveness of both CRL and GP with deep kernel approaches over strong baseline methods.

Offline Model-Based Optimization via Policy-Guided Gradient Search

Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation data is too expensive or dangerous. To avoid that, one has to optimize an unknown function given only its offline evaluation at a fixed set of inputs. A naive solution to this problem is to learn a surrogate model of the unknown function and optimize this surrogate instead. However, such a naive optimizer is prone to erroneous overestimation of the surrogate (possibly due to over-fitting on a biased sample of function evaluation) on inputs outside the offline dataset. Prior approaches addressing this challenge have primarily focused on learning robust surrogate models. However, their search strategies are derived from the surrogate model rather than the actual offline data. To fill this important gap, we introduce a new learning-to-search perspective for offline optimization by reformulating it as an offline reinforcement learning problem. Our proposed policy-guided gradient search approach explicitly learns the best policy for a given surrogate model created from the offline data. Our empirical results on multiple benchmarks demonstrate that the learned optimization policy can be combined with existing offline surrogates to significantly improve the optimization performance.

Dataflow-Aware PIM-Enabled Manycore Architecture for Deep Learning Workloads

Processing-in-memory (PIM) has emerged as an enabler for the energy-efficient and high-performance acceleration of deep learning (DL) workloads. Resistive random-access memory (ReRAM) is one of the most promising technologies to implement PIM. However, as the complexity of Deep convolutional neural networks (DNNs) grows, we need to design a manycore architecture with multiple ReRAM-based processing elements (PEs) on a single chip. Existing PIM-based architectures mostly focus on computation while ignoring the role of communication. ReRAM-based tiled manycore architectures often involve many Processing Elements (PEs), which need to be interconnected via an efficient on-chip communication infrastructure. Simply allocating more resources (ReRAMs) to speed up only computation is ineffective if the communication infrastructure cannot keep up with it. In this paper, we highlight the design principles of a dataflow-aware PIM-enabled manycore platform tailor-made for various types of DL workloads. We consider the design challenges with both 2.5D interposer- and 3D integration-enabled architectures.