An official website of the United States government
High-level synthesis (HLS) is an automated design process that transforms high-level code into optimized hardware designs, enabling rapid development of efficient hardware accelerators for various applications such as image processing, machine learning, and signal processing. To achieve optimal performance, HLS tools rely on pragmas, which are directives inserted into the source code to guide the synthesis process, and these pragmas can have various settings and values that significantly impact the resulting hardware design. State-of the-art ML-based HLS methods, such as harp, first train a deep learning model, typically based on graph neural networks (GNNs) applied to graph-based representations of the source code and its pragmas. They then perform design space exploration (DSE) to explore the pragma design space, rank candidate designs using the trained model, and return the top designs as the final designs. However, traditional DSE methods face challenges due to the highly nonlinear relationship between pragma settings and performance metrics, along with complex interactions between pragmas that affect performance in non-obvious ways. To address these challenges, we propose compareXplore, a novel approach that learns to compare hardware designs for effective HLS optimization. compareXplore introduces a hybrid loss function that combines pairwise preference learning with pointwise performance prediction, enabling the model to capture both relative preferences and absolute performance values. Moreover, we introduce a novel Node Difference Attention module that focuses on the most informative differences between designs, enhancing the model’s ability to identify critical pragmas impacting performance. compareXplore adopts a two-stage DSE approach, where a pointwise prediction model is used for the initial design pruning, followed by a pairwise comparison stage for precise performance verification. Experimental results demonstrate that compareXplore achieves significant improvements in ranking metrics and generates high quality HLS results for the selected designs, outperforming the existing state-of-the-art method.
more »
« less
Reconciling λ-Returns with Experience Replay
Modern deep reinforcement learning methods have departed from the incremental learning required for eligibility traces, rendering the implementation of the λ-return difficult in this context. In particular, off-policy methods that utilize experience replay remain problematic because their random sampling of minibatches is not conducive to the efficient calculation of λ-returns. Yet replay-based methods are often the most sample efficient, and incorporating λ-returns into them is a viable way to achieve new state-of-the-art performance. Towards this, we propose the first method to enable practical use of λ-returns in arbitrary replay-based methods without relying on other forms of decorrelation such as asynchronous gradient updates. By promoting short sequences of past transitions into a small cache within the replay memory, adjacent λ-returns can be efficiently precomputed by sharing Q-values. Computation is not wasted on experiences that are never sampled, and stored λ-returns behave as stable temporal-difference (TD) targets that replace the target network. Additionally, our method grants the unique ability to observe TD errors prior to sampling; for the first time, transitions can be prioritized by their true significance rather than by a proxy to it. Furthermore, we propose the novel use of the TD error to dynamically select λ-values that facilitate faster learning. We show that these innovations can enhance the performance of DQN when playing Atari 2600 games, even under partial observability. While our work specifically focuses on λ-returns, these ideas are applicable to any multi-step return estimator.
more »
« less
- Award ID(s):
- 1734497
- PAR ID:
- 10167545
- Date Published:
- Journal Name:
- Advances in neural information processing systems
- ISSN:
- 1049-5258
- Page Range / eLocation ID:
- 1131-1140
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Markov chains are fundamental to statistical machine learning, underpinning key methodologies such as Markov Chain Monte Carlo (MCMC) sampling and temporal difference (TD) learning in reinforcement learning (RL). Given their widespread use, it is crucial to establish rigorous probabilistic guarantees on their convergence, uncertainty, and stability. In this work, we develop novel, high-dimensional concentration inequalities and Berry-Esseen bounds for vector- and matrix-valued functions of Markov chains, addressing key limitations in existing theoretical tools for handling dependent data. We leverage these results to analyze the TD learning algorithm, a widely used method for policy evaluation in RL. Our analysis yields a sharp high-probability consistency guarantee that matches the asymptotic variance up to logarithmic factors. Furthermore, we establish a O(T−14logT) distributional convergence rate for the Gaussian approximation of the TD estimator, measured in convex distance. These findings provide new insights into statistical inference for RL algorithms, bridging the gaps between classical stochastic approximation theory and modern reinforcement learning applications.more » « less
-
Since reinforcement learning algorithms are notoriously data-intensive, the task of sampling observations from the environment is usually split across multiple agents. However, transferring these observations from the agents to a central location can be prohibitively expensive in terms of the communication cost, and it can also compromise the privacy of each agent’s local behavior policy. In this paper, we consider a federated reinforcement learning framework where multiple agents collaboratively learn a global model, without sharing their individual data and policies. Each agent maintains a local copy of the model and updates it using locally sampled data. Although having N agents enables the sampling of N times more data, it is not clear if it leads to proportional convergence speedup. We propose federated versions of on-policy TD, off-policy TD and Q-learning, and analyze their convergence. For all these algorithms, to the best of our knowledge, we are the first to consider Markovian noise and multiple local updates, and prove a linear convergence speedup with respect to the number of agents. To obtain these results, we show that federated TD and Q-learning are special cases of a general framework for federated stochastic approximation with Markovian noise, and we leverage this framework to provide a unified convergence analysis that applies to all the algorithms.more » « less
-
Since reinforcement learning algorithms are notoriously data-intensive, the task of sampling observations from the environment is usually split across multiple agents. However, transferring these observations from the agents to a central location can be prohibitively expensive in terms of the communication cost, and it can also compromise the privacy of each agent’s local behavior policy. In this paper, we consider a federated reinforcement learning framework where multiple agents collaboratively learn a global model, without sharing their individual data and policies. Each agent maintains a local copy of the model and updates it using locally sampled data. Although having N agents enables the sampling of N times more data, it is not clear if it leads to proportional convergence speedup. We propose federated versions of on-policy TD, off-policy TD and Q-learning, and analyze their convergence. For all these algorithms, to the best of our knowledge, we are the first to consider Markovian noise and multiple local updates, and prove a linear convergence speedup with respect to the number of agents. To obtain these results, we show that federated TD and Q-learning are special cases of a general framework for federated stochastic approximation with Markovian noise, and we leverage this framework to provide a unified convergence analysis that applies to all the algorithms.more » « less
-
Abstract While significant advances have been made in predicting static protein structures, the inherent dynamics of proteins, modulated by ligands, are crucial for understanding protein function and facilitating drug discovery. Traditional docking methods, frequently used in studying protein-ligand interactions, typically treat proteins as rigid. While molecular dynamics simulations can propose appropriate protein conformations, they’re computationally demanding due to rare transitions between biologically relevant equilibrium states. In this study, we present DynamicBind, a deep learning method that employs equivariant geometric diffusion networks to construct a smooth energy landscape, promoting efficient transitions between different equilibrium states. DynamicBind accurately recovers ligand-specific conformations from unbound protein structures without the need for holo-structures or extensive sampling. Remarkably, it demonstrates state-of-the-art performance in docking and virtual screening benchmarks. Our experiments reveal that DynamicBind can accommodate a wide range of large protein conformational changes and identify cryptic pockets in unseen protein targets. As a result, DynamicBind shows potential in accelerating the development of small molecules for previously undruggable targets and expanding the horizons of computational drug discovery.more » « less
- Free Publicly Accessible Full Text
-
Accepted Manuscript1.0
- Conference Paper:
- The DOI is not currently available.
