Jianyi Yang

Pengfei Li, Jianyi Yang, Adam Wierman et al.

Fueled by the soaring popularity of large language and foundation models, the accelerated growth of artificial intelligence (AI) models' enormous environmental footprint has come under increased scrutiny. While many approaches have been proposed to make AI more energy-efficient and environmentally friendly, environmental inequity -- the fact that AI's environmental footprint can be disproportionately higher in certain regions than in others -- has emerged, raising social-ecological justice concerns. This paper takes a first step toward addressing AI's environmental inequity by balancing its regional negative environmental impact. Concretely, we focus on the carbon and water footprints of AI model inference and propose equity-aware geographical load balancing (GLB) to explicitly address AI's environmental impacts on the most disadvantaged regions. We run trace-based simulations by considering a set of 10 geographically-distributed data centers that serve inference requests for a large language AI model. The results demonstrate that existing GLB approaches may amplify environmental inequity while our proposed equity-aware GLB can significantly reduce the regional disparity in terms of carbon and water footprints.

Pengfei Li, Jianyi Yang, Shaolei Ren

We study online convex optimization with switching costs, a practically important but also extremely challenging problem due to the lack of complete offline information. By tapping into the power of machine learning (ML) based optimizers, ML-augmented online algorithms (also referred to as expert calibration in this paper) have been emerging as state of the art, with provable worst-case performance guarantees. Nonetheless, by using the standard practice of training an ML model as a standalone optimizer and plugging it into an ML-augmented algorithm, the average cost performance can be highly unsatisfactory. In order to address the "how to learn" challenge, we propose EC-L2O (expert-calibrated learning to optimize), which trains an ML-based optimizer by explicitly taking into account the downstream expert calibrator. To accomplish this, we propose a new differentiable expert calibrator that generalizes regularized online balanced descent and offers a provably better competitive ratio than pure ML predictions when the prediction error is large. For training, our loss function is a weighted sum of two different losses -- one minimizing the average ML prediction error for better robustness, and the other one minimizing the post-calibration average cost. We also provide theoretical analysis for EC-L2O, highlighting that expert calibration can be even beneficial for the average cost performance and that the high-percentile tail ratio of the cost achieved by EC-L2O to that of the offline optimal oracle (i.e., tail cost ratio) can be bounded. Finally, we test EC-L2O by running simulations for sustainable datacenter demand response. Our results demonstrate that EC-L2O can empirically achieve a lower average cost as well as a lower competitive ratio than the existing baseline algorithms.

Pengfei Li, Jianyi Yang, Adam Wierman et al.

We study a challenging form of Smoothed Online Convex Optimization, a.k.a. SOCO, including multi-step nonlinear switching costs and feedback delay. We propose a novel machine learning (ML) augmented online algorithm, Robustness-Constrained Learning (RCL), which combines untrusted ML predictions with a trusted expert online algorithm via constrained projection to robustify the ML prediction. Specifically,we prove that RCL is able to guarantee$(1+λ)$-competitiveness against any given expert for any$λ>0$, while also explicitly training the ML model in a robustification-aware manner to improve the average-case performance. Importantly,RCL is the first ML-augmented algorithm with a provable robustness guarantee in the case of multi-step switching cost and feedback delay.We demonstrate the improvement of RCL in both robustness and average performance using battery management for electrifying transportationas a case study.

Jianyi Yang, Pengfei Li, Tongxin Li et al.

This paper studies the problem of Anytime-Competitive Markov Decision Process (A-CMDP). Existing works on Constrained Markov Decision Processes (CMDPs) aim to optimize the expected reward while constraining the expected cost over random dynamics, but the cost in a specific episode can still be unsatisfactorily high. In contrast, the goal of A-CMDP is to optimize the expected reward while guaranteeing a bounded cost in each round of any episode against a policy prior. We propose a new algorithm, called Anytime-Competitive Reinforcement Learning (ACRL), which provably guarantees the anytime cost constraints. The regret analysis shows the policy asymptotically matches the optimal reward achievable under the anytime competitive constraints. Experiments on the application of carbon-intelligent computing verify the reward performance and cost constraint guarantee of ACRL.

Pengfei Li, Jianyi Yang, Adam Wierman et al.

This paper studies decentralized online convex optimization in a networked multi-agent system and proposes a novel algorithm, Learning-Augmented Decentralized Online optimization (LADO), for individual agents to select actions only based on local online information. LADO leverages a baseline policy to safeguard online actions for worst-case robustness guarantees, while staying close to the machine learning (ML) policy for average performance improvement. In stark contrast with the existing learning-augmented online algorithms that focus on centralized settings, LADO achieves strong robustness guarantees in a decentralized setting. We also prove the average cost bound for LADO, revealing the tradeoff between average performance and worst-case robustness and demonstrating the advantage of training the ML policy by explicitly considering the robustness requirement.

Bintao He, Fa Zhang, Chenjie Feng et al.

Advances on cryo-electron imaging technologies have led to a rapidly increasing number of density maps. Alignment and comparison of density maps play a crucial role in interpreting structural information, such as conformational heterogeneity analysis using global alignment and atomic model assembly through local alignment. Here, we propose a fast and accurate global and local cryo-electron microscopy density map alignment method CryoAlign, which leverages local density feature descriptors to capture spatial structure similarities. CryoAlign is the first feature-based EM map alignment tool, in which the employment of feature-based architecture enables the rapid establishment of point pair correspondences and robust estimation of alignment parameters. Extensive experimental evaluations demonstrate the superiority of CryoAlign over the existing methods in both alignment accuracy and speed.

Bingqian Lu, Jianyi Yang, Weiwen Jiang et al.

Convolutional neural networks (CNNs) are used in numerous real-world applications such as vision-based autonomous driving and video content analysis. To run CNN inference on various target devices, hardware-aware neural architecture search (NAS) is crucial. A key requirement of efficient hardware-aware NAS is the fast evaluation of inference latencies in order to rank different architectures. While building a latency predictor for each target device has been commonly used in state of the art, this is a very time-consuming process, lacking scalability in the presence of extremely diverse devices. In this work, we address the scalability challenge by exploiting latency monotonicity -- the architecture latency rankings on different devices are often correlated. When strong latency monotonicity exists, we can re-use architectures searched for one proxy device on new target devices, without losing optimality. In the absence of strong latency monotonicity, we propose an efficient proxy adaptation technique to significantly boost the latency monotonicity. Finally, we validate our approach and conduct experiments with devices of different platforms on multiple mainstream search spaces, including MobileNet-V2, MobileNet-V3, NAS-Bench-201, ProxylessNAS and FBNet. Our results highlight that, by using just one proxy device, we can find almost the same Pareto-optimal architectures as the existing per-device NAS, while avoiding the prohibitive cost of building a latency predictor for each device. GitHub: https://github.com/Ren-Research/OneProxy

Jianyi Yang, Shaolei Ren

A standard assumption in contextual multi-arm bandit is that the true context is perfectly known before arm selection. Nonetheless, in many practical applications (e.g., cloud resource management), prior to arm selection, the context information can only be acquired by prediction subject to errors or adversarial modification. In this paper, we study a contextual bandit setting in which only imperfect context is available for arm selection while the true context is revealed at the end of each round. We propose two robust arm selection algorithms: MaxMinUCB (Maximize Minimum UCB) which maximizes the worst-case reward, and MinWD (Minimize Worst-case Degradation) which minimizes the worst-case regret. Importantly, we analyze the robustness of MaxMinUCB and MinWD by deriving both regret and reward bounds compared to an oracle that knows the true context. Our results show that as time goes on, MaxMinUCB and MinWD both perform as asymptotically well as their optimal counterparts that know the reward function. Finally, we apply MaxMinUCB and MinWD to online edge datacenter selection, and run synthetic simulations to validate our theoretical analysis.

Jianyi Yang, Shaolei Ren

With the exploding popularity of machine learning, domain knowledge in various forms has been playing a crucial role in improving the learning performance, especially when training data is limited. Nonetheless, there is little understanding of to what extent domain knowledge can affect a machine learning task from a quantitative perspective. To increase the transparency and rigorously explain the role of domain knowledge in machine learning, we study the problem of quantifying the values of domain knowledge in terms of its contribution to the learning performance in the context of informed machine learning. We propose a quantification method based on Shapley value that fairly attributes the overall learning performance improvement to different domain knowledge. We also present Monte-Carlo sampling to approximate the fair value of domain knowledge with a polynomial time complexity. We run experiments of injecting symbolic domain knowledge into semi-supervised learning tasks on both MNIST and CIFAR10 datasets, providing quantitative values of different symbolic knowledge and rigorously explaining how it affects the machine learning performance in terms of test accuracy.

Bingqian Lu, Jianyi Yang, Shaolei Ren

Deep neural networks (DNNs) have been increasingly deployed on and integrated with edge devices, such as mobile phones, drones, robots and wearables. To run DNN inference directly on edge devices (a.k.a. edge inference) with a satisfactory performance, optimizing the DNN design (e.g., network architecture and quantization policy) is crucial. While state-of-the-art DNN designs have leveraged performance predictors to speed up the optimization process, they are device-specific (i.e., each predictor for only one target device) and hence cannot scale well in the presence of extremely diverse edge devices. Moreover, even with performance predictors, the optimizer (e.g., search-based optimization) can still be time-consuming when optimizing DNNs for many different devices. In this work, we propose two approaches to scaling up DNN optimization. In the first approach, we reuse the performance predictors built on a proxy device, and leverage the performance monotonicity to scale up the DNN optimization without re-building performance predictors for each different device. In the second approach, we build scalable performance predictors that can estimate the resulting performance (e.g., inference accuracy/latency/energy) given a DNN-device pair, and use a neural network-based automated optimizer that takes both device features and optimization parameters as input and then directly outputs the optimal DNN design without going through a lengthy optimization process for each individual device.

Zhihui Shao, Jianyi Yang, Shaolei Ren

Inference accuracy of deep neural networks (DNNs) is a crucial performance metric, but can vary greatly in practice subject to actual test datasets and is typically unknown due to the lack of ground truth labels. This has raised significant concerns with trustworthiness of DNNs, especially in safety-critical applications. In this paper, we address trustworthiness of DNNs by using post-hoc processing to monitor the true inference accuracy on a user's dataset. Concretely, we propose a neural network-based accuracy monitor model, which only takes the deployed DNN's softmax probability output as its input and directly predicts if the DNN's prediction result is correct or not, thus leading to an estimate of the true inference accuracy. The accuracy monitor model can be pre-trained on a dataset relevant to the target application of interest, and only needs to actively label a small portion (1% in our experiments) of the user's dataset for model transfer. For estimation robustness, we further employ an ensemble of monitor models based on the Monte-Carlo dropout method. We evaluate our approach on different deployed DNN models for image classification and traffic sign detection over multiple datasets (including adversarial samples). The result shows that our accuracy monitor model provides a close-to-true accuracy estimation and outperforms the existing baseline methods.

Zhihui Shao, Jianyi Yang, Shaolei Ren

To increase the trustworthiness of deep neural network (DNN) classifiers, an accurate prediction confidence that represents the true likelihood of correctness is crucial. Towards this end, many post-hoc calibration methods have been proposed to leverage a lightweight model to map the target DNN's output layer into a calibrated confidence. Nonetheless, on an out-of-distribution (OOD) dataset in practice, the target DNN can often mis-classify samples with a high confidence, creating significant challenges for the existing calibration methods to produce an accurate confidence. In this paper, we propose a new post-hoc confidence calibration method, called CCAC (Confidence Calibration with an Auxiliary Class), for DNN classifiers on OOD datasets. The key novelty of CCAC is an auxiliary class in the calibration model which separates mis-classified samples from correctly classified ones, thus effectively mitigating the target DNN's being confidently wrong. We also propose a simplified version of CCAC to reduce free parameters and facilitate transfer to a new unseen dataset. Our experiments on different DNN models, datasets and applications show that CCAC can consistently outperform the prior post-hoc calibration methods.

Evan N. Feinberg, Debnil Sur, Zhenqin Wu et al.

The arc of drug discovery entails a multiparameter optimization problem spanning vast length scales. They key parameters range from solubility (angstroms) to protein-ligand binding (nanometers) to in vivo toxicity (meters). Through feature learning---instead of feature engineering---deep neural networks promise to outperform both traditional physics-based and knowledge-based machine learning models for predicting molecular properties pertinent to drug discovery. To this end, we present the PotentialNet family of graph convolutions. These models are specifically designed for and achieve state-of-the-art performance for protein-ligand binding affinity. We further validate these deep neural networks by setting new standards of performance in several ligand-based tasks. In parallel, we introduce a new metric, the Regression Enrichment Factor $EF_χ^{(R)}$, to measure the early enrichment of computational models for chemical data. Finally, we introduce a cross-validation strategy based on structural homology clustering that can more accurately measure model generalizability, which crucially distinguishes the aims of machine learning for drug discovery from standard machine learning tasks.