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Liwei Wang

Publications and source records attributed to Liwei Wang.

At least 109 records · Page 6Linked to original sources
arXiv2023

Mixed-Variable Global Sensitivity Analysis For Knowledge Discovery And Efficient Combinatorial Materials Design

Global Sensitivity Analysis (GSA) is the study of the influence of any given inputs on the outputs of a model. In the context of engineering design, GSA has been widely used to understand both individual and collective contributions of design variables on the design objectives. So far, global sensitivity studies have often been limited to design spaces with only quantitative (numerical) design variables. However, many engineering systems also contain, if not only, qualitative (categorical) design variables in addition to quantitative design variables. In this paper, we integrate Latent Variable Gaussian Process (LVGP) with Sobol' analysis to develop the first metamodel-based mixed-variable GSA method. Through numerical case studies, we validate and demonstrate the effectiveness of our proposed method for mixed-variable problems. Furthermore, while the proposed GSA method is general enough to benefit various engineering design applications, we integrate it with multi-objective Bayesian optimization (BO) to create a sensitivity-aware design framework in accelerating the Pareto front design exploration for metal-organic framework (MOF) materials with many-level combinatorial design spaces. Although MOFs are constructed only from qualitative variables that are notoriously difficult to design, our method can utilize sensitivity analysis to navigate the optimization in the many-level large combinatorial design space, greatly expediting the exploration of novel MOF candidates.

stat.ML↗
arXiv2023

CLEVA: Chinese Language Models EVAluation Platform

With the continuous emergence of Chinese Large Language Models (LLMs), how to evaluate a model's capabilities has become an increasingly significant issue. The absence of a comprehensive Chinese benchmark that thoroughly assesses a model's performance, the unstandardized and incomparable prompting procedure, and the prevalent risk of contamination pose major challenges in the current evaluation of Chinese LLMs. We present CLEVA, a user-friendly platform crafted to holistically evaluate Chinese LLMs. Our platform employs a standardized workflow to assess LLMs' performance across various dimensions, regularly updating a competitive leaderboard. To alleviate contamination, CLEVA curates a significant proportion of new data and develops a sampling strategy that guarantees a unique subset for each leaderboard round. Empowered by an easy-to-use interface that requires just a few mouse clicks and a model API, users can conduct a thorough evaluation with minimal coding. Large-scale experiments featuring 23 Chinese LLMs have validated CLEVA's efficacy.

cs.CL↗
arXiv2023

CORE: Common Random Reconstruction for Distributed Optimization with Provable Low Communication Complexity

With distributed machine learning being a prominent technique for large-scale machine learning tasks, communication complexity has become a major bottleneck for speeding up training and scaling up machine numbers. In this paper, we propose a new technique named Common randOm REconstruction(CORE), which can be used to compress the information transmitted between machines in order to reduce communication complexity without other strict conditions. Especially, our technique CORE projects the vector-valued information to a low-dimensional one through common random vectors and reconstructs the information with the same random noises after communication. We apply CORE to two distributed tasks, respectively convex optimization on linear models and generic non-convex optimization, and design new distributed algorithms, which achieve provably lower communication complexities. For example, we show for linear models CORE-based algorithm can encode the gradient vector to $\mathcal{O}(1)$-bits (against $\mathcal{O}(d)$), with the convergence rate not worse, preceding the existing results.

cs.LG↗
arXiv2023

VL-PET: Vision-and-Language Parameter-Efficient Tuning via Granularity Control

As the model size of pre-trained language models (PLMs) grows rapidly, full fine-tuning becomes prohibitively expensive for model training and storage. In vision-and-language (VL), parameter-efficient tuning (PET) techniques are proposed to integrate modular modifications (e.g., Adapter and LoRA) into encoder-decoder PLMs. By tuning a small set of trainable parameters, these techniques perform on par with full fine-tuning. However, excessive modular modifications and neglecting the functionality gap between the encoders and decoders can lead to performance degradation, while existing PET techniques (e.g., VL-Adapter) overlook these critical issues. In this paper, we propose a Vision-and-Language Parameter-Efficient Tuning (VL-PET) framework to impose effective control over modular modifications via a novel granularity-controlled mechanism. Considering different granularity-controlled matrices generated by this mechanism, a variety of model-agnostic VL-PET modules can be instantiated from our framework for better efficiency and effectiveness trade-offs. We further propose lightweight PET module designs to enhance VL alignment and modeling for the encoders and maintain text generation for the decoders. Extensive experiments conducted on four image-text tasks and four video-text tasks demonstrate the efficiency, effectiveness and transferability of our VL-PET framework. In particular, our VL-PET-large with lightweight PET module designs significantly outperforms VL-Adapter by 2.92% (3.41%) and LoRA by 3.37% (7.03%) with BART-base (T5-base) on image-text tasks. Furthermore, we validate the enhanced effect of employing our VL-PET designs on existing PET techniques, enabling them to achieve significant performance improvements. Our code is available at https://github.com/HenryHZY/VL-PET.

cs.CV↗
arXiv2023

UniTR: A Unified and Efficient Multi-Modal Transformer for Bird's-Eye-View Representation

Jointly processing information from multiple sensors is crucial to achieving accurate and robust perception for reliable autonomous driving systems. However, current 3D perception research follows a modality-specific paradigm, leading to additional computation overheads and inefficient collaboration between different sensor data. In this paper, we present an efficient multi-modal backbone for outdoor 3D perception named UniTR, which processes a variety of modalities with unified modeling and shared parameters. Unlike previous works, UniTR introduces a modality-agnostic transformer encoder to handle these view-discrepant sensor data for parallel modal-wise representation learning and automatic cross-modal interaction without additional fusion steps. More importantly, to make full use of these complementary sensor types, we present a novel multi-modal integration strategy by both considering semantic-abundant 2D perspective and geometry-aware 3D sparse neighborhood relations. UniTR is also a fundamentally task-agnostic backbone that naturally supports different 3D perception tasks. It sets a new state-of-the-art performance on the nuScenes benchmark, achieving +1.1 NDS higher for 3D object detection and +12.0 higher mIoU for BEV map segmentation with lower inference latency. Code will be available at https://github.com/Haiyang-W/UniTR .

cs.CV↗
arXiv2023

GRU-D-Weibull: A Novel Real-Time Individualized Endpoint Prediction

Accurate prediction models for individual-level endpoints and time-to-endpoints are crucial in clinical practice. In this study, we propose a novel approach, GRU-D-Weibull, which combines gated recurrent units with decay (GRU-D) to model the Weibull distribution. Our method enables real-time individualized endpoint prediction and population-level risk management. Using a cohort of 6,879 patients with stage 4 chronic kidney disease (CKD4), we evaluated the performance of GRU-D-Weibull in endpoint prediction. The C-index of GRU-D-Weibull was ~0.7 at the index date and increased to ~0.77 after 4.3 years of follow-up, similar to random survival forest. Our approach achieved an absolute L1-loss of ~1.1 years (SD 0.95) at the CKD4 index date and a minimum of ~0.45 years (SD0.3) at 4 years of follow-up, outperforming competing methods significantly. GRU-D-Weibull consistently constrained the predicted survival probability at the time of an event within a smaller and more fixed range compared to other models throughout the follow-up period. We observed significant correlations between the error in point estimates and missing proportions of input features at the index date (correlations from ~0.1 to ~0.3), which diminished within 1 year as more data became available. By post-training recalibration, we successfully aligned the predicted and observed survival probabilities across multiple prediction horizons at different time points during follow-up. Our findings demonstrate the considerable potential of GRU-D-Weibull as the next-generation architecture for endpoint risk management, capable of generating various endpoint estimates for real-time monitoring using clinical data.

cs.LG↗
arXiv2023

Physics-aware differentiable design of magnetically actuated kirigami for shape morphing

Shape morphing that transforms morphologies in response to stimuli is crucial for future multifunctional systems. While kirigami holds great promise in enhancing shape-morphing, existing designs primarily focus on kinematics and overlook the underlying physics. This study introduces a differentiable inverse design framework that considers the physical interplay between geometry, materials, and stimuli of active kirigami, made by soft material embedded with magnetic particles, to realize target shape-morphing upon magnetic excitation. We achieve this by combining differentiable kinematics and energy models into a constrained optimization, simultaneously designing the cuts and magnetization orientations to ensure kinematic and physical feasibility. Complex kirigami designs are obtained automatically with unparallel efficiency, which can be remotely controlled to morph into intricate target shapes and even multiple states. The proposed framework can be extended to accommodate various active systems, bridging geometry and physics to push the frontiers in shape-morphing applications, like flexible electronics and minimally invasive surgery.

physics.app-ph↗
arXiv2023

Topology-Preserving Automatic Labeling of Coronary Arteries via Anatomy-aware Connection Classifier

Automatic labeling of coronary arteries is an essential task in the practical diagnosis process of cardiovascular diseases. For experienced radiologists, the anatomically predetermined connections are important for labeling the artery segments accurately, while this prior knowledge is barely explored in previous studies. In this paper, we present a new framework called TopoLab which incorporates the anatomical connections into the network design explicitly. Specifically, the strategies of intra-segment feature aggregation and inter-segment feature interaction are introduced for hierarchical segment feature extraction. Moreover, we propose the anatomy-aware connection classifier to enable classification for each connected segment pair, which effectively exploits the prior topology among the arteries with different categories. To validate the effectiveness of our method, we contribute high-quality annotations of artery labeling to the public orCaScore dataset. The experimental results on both the orCaScore dataset and an in-house dataset show that our TopoLab has achieved state-of-the-art performance.

eess.IV↗
arXiv2023

Mining Negative Temporal Contexts For False Positive Suppression In Real-Time Ultrasound Lesion Detection

During ultrasonic scanning processes, real-time lesion detection can assist radiologists in accurate cancer diagnosis. However, this essential task remains challenging and underexplored. General-purpose real-time object detection models can mistakenly report obvious false positives (FPs) when applied to ultrasound videos, potentially misleading junior radiologists. One key issue is their failure to utilize negative symptoms in previous frames, denoted as negative temporal contexts (NTC). To address this issue, we propose to extract contexts from previous frames, including NTC, with the guidance of inverse optical flow. By aggregating extracted contexts, we endow the model with the ability to suppress FPs by leveraging NTC. We call the resulting model UltraDet. The proposed UltraDet demonstrates significant improvement over previous state-of-the-arts and achieves real-time inference speed. We release the code, checkpoints, and high-quality labels of the CVA-BUS dataset in https://github.com/HaojunYu1998/UltraDet.

cs.CV↗
arXiv2023

Forward Laplacian: A New Computational Framework for Neural Network-based Variational Monte Carlo

Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of existing approaches hinders their applications in realistic chemistry problems. Here, we report the development of a new NN-VMC method that achieves a remarkable speed-up by more than one order of magnitude, thereby greatly extending the applicability of NN-VMC to larger systems. Our key design is a novel computational framework named Forward Laplacian, which computes the Laplacian associated with neural networks, the bottleneck of NN-VMC, through an efficient forward propagation process. We then demonstrate that Forward Laplacian is not only versatile but also facilitates more developments of acceleration methods across various aspects, including optimization for sparse derivative matrix and efficient neural network design. Empirically, our approach enables NN-VMC to investigate a broader range of atoms, molecules and chemical reactions for the first time, providing valuable references to other ab initio methods. The results demonstrate a great potential in applying deep learning methods to solve general quantum mechanical problems.

physics.comp-ph↗
arXiv2023

Performance Analysis of RIS-Aided Space Shift Keying With Channel Estimation Errors

In this paper, we investigate the reconfigurable intelligent surface (RIS) assisted space shift keying (SSK) downlink communication systems under the imperfect channel state information (CSI), where the channel between the base station to RIS follows the Rayleigh fading, while the channel between the RIS to user equipment obeys the Rician fading. Based on the maximum likelihood detector, the conditional pairwise error probability of the composite channel is derived. Then, the probability density function for a non-central chi-square distribution with one degree of freedom is derived. Based on this, the closed-form analytical expression of the RIS-SSK scheme with imperfect CSI is derived. To gain more valuable insights, the asymptotic ABEP expression is also given. Finally, we validate the derived closed-form and asymptotic expressions by Monte Carlo simulations.

cs.IT↗
arXiv2023

Data-Driven Design for Metamaterials and Multiscale Systems: A Review

Metamaterials are artificial materials designed to exhibit effective material parameters that go beyond those found in nature. Composed of unit cells with rich designability that are assembled into multiscale systems, they hold great promise for realizing next-generation devices with exceptional, often exotic, functionalities. However, the vast design space and intricate structure-property relationships pose significant challenges in their design. A compelling paradigm that could bring the full potential of metamaterials to fruition is emerging: data-driven design. In this review, we provide a holistic overview of this rapidly evolving field, emphasizing the general methodology instead of specific domains and deployment contexts. We organize existing research into data-driven modules, encompassing data acquisition, machine learning-based unit cell design, and data-driven multiscale optimization. We further categorize the approaches within each module based on shared principles, analyze and compare strengths and applicability, explore connections between different modules, and identify open research questions and opportunities.

cs.CE↗
arXiv2023

GEC: A Unified Framework for Interactive Decision Making in MDP, POMDP, and Beyond

We study sample efficient reinforcement learning (RL) under the general framework of interactive decision making, which includes Markov decision process (MDP), partially observable Markov decision process (POMDP), and predictive state representation (PSR) as special cases. Toward finding the minimum assumption that empowers sample efficient learning, we propose a novel complexity measure, generalized eluder coefficient (GEC), which characterizes the fundamental tradeoff between exploration and exploitation in online interactive decision making. In specific, GEC captures the hardness of exploration by comparing the error of predicting the performance of the updated policy with the in-sample training error evaluated on the historical data. We show that RL problems with low GEC form a remarkably rich class, which subsumes low Bellman eluder dimension problems, bilinear class, low witness rank problems, PO-bilinear class, and generalized regular PSR, where generalized regular PSR, a new tractable PSR class identified by us, includes nearly all known tractable POMDPs and PSRs. Furthermore, in terms of algorithm design, we propose a generic posterior sampling algorithm, which can be implemented in both model-free and model-based fashion, under both fully observable and partially observable settings. The proposed algorithm modifies the standard posterior sampling algorithm in two aspects: (i) we use an optimistic prior distribution that biases towards hypotheses with higher values and (ii) a loglikelihood function is set to be the empirical loss evaluated on the historical data, where the choice of loss function supports both model-free and model-based learning. We prove that the proposed algorithm is sample efficient by establishing a sublinear regret upper bound in terms of GEC. In summary, we provide a new and unified understanding of both fully observable and partially observable RL.

cs.LG↗
arXiv2023

On the Power of Pre-training for Generalization in RL: Provable Benefits and Hardness

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.

cs.LG↗
arXiv2023

ContraNeRF: Generalizable Neural Radiance Fields for Synthetic-to-real Novel View Synthesis via Contrastive Learning

Although many recent works have investigated generalizable NeRF-based novel view synthesis for unseen scenes, they seldom consider the synthetic-to-real generalization, which is desired in many practical applications. In this work, we first investigate the effects of synthetic data in synthetic-to-real novel view synthesis and surprisingly observe that models trained with synthetic data tend to produce sharper but less accurate volume densities. For pixels where the volume densities are correct, fine-grained details will be obtained. Otherwise, severe artifacts will be produced. To maintain the advantages of using synthetic data while avoiding its negative effects, we propose to introduce geometry-aware contrastive learning to learn multi-view consistent features with geometric constraints. Meanwhile, we adopt cross-view attention to further enhance the geometry perception of features by querying features across input views. Experiments demonstrate that under the synthetic-to-real setting, our method can render images with higher quality and better fine-grained details, outperforming existing generalizable novel view synthesis methods in terms of PSNR, SSIM, and LPIPS. When trained on real data, our method also achieves state-of-the-art results.

cs.CV↗
arXiv2023

Boosting Breast Ultrasound Video Classification by the Guidance of Keyframe Feature Centers

Breast ultrasound videos contain richer information than ultrasound images, therefore it is more meaningful to develop video models for this diagnosis task. However, the collection of ultrasound video datasets is much harder. In this paper, we explore the feasibility of enhancing the performance of ultrasound video classification using the static image dataset. To this end, we propose KGA-Net and coherence loss. The KGA-Net adopts both video clips and static images to train the network. The coherence loss uses the feature centers generated by the static images to guide the frame attention in the video model. Our KGA-Net boosts the performance on the public BUSV dataset by a large margin. The visualization results of frame attention prove the explainability of our method. The codes and model weights of our method will be made publicly available.

cs.CV↗
arXiv2023

Offline Meta Reinforcement Learning with In-Distribution Online Adaptation

Recent offline meta-reinforcement learning (meta-RL) methods typically utilize task-dependent behavior policies (e.g., training RL agents on each individual task) to collect a multi-task dataset. However, these methods always require extra information for fast adaptation, such as offline context for testing tasks. To address this problem, we first formally characterize a unique challenge in offline meta-RL: transition-reward distribution shift between offline datasets and online adaptation. Our theory finds that out-of-distribution adaptation episodes may lead to unreliable policy evaluation and that online adaptation with in-distribution episodes can ensure adaptation performance guarantee. Based on these theoretical insights, we propose a novel adaptation framework, called In-Distribution online Adaptation with uncertainty Quantification (IDAQ), which generates in-distribution context using a given uncertainty quantification and performs effective task belief inference to address new tasks. We find a return-based uncertainty quantification for IDAQ that performs effectively. Experiments show that IDAQ achieves state-of-the-art performance on the Meta-World ML1 benchmark compared to baselines with/without offline adaptation.

cs.LG↗
arXiv2023

A Complete Expressiveness Hierarchy for Subgraph GNNs via Subgraph Weisfeiler-Lehman Tests

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design paradigms differ in terms of expressive power, nor is it clear what design principle achieves maximal expressiveness with minimal architectural complexity. To address these fundamental questions, this paper conducts a systematic study of general node-based subgraph GNNs through the lens of Subgraph Weisfeiler-Lehman Tests (SWL). Our central result is to build a complete hierarchy of SWL with strictly growing expressivity. Concretely, we prove that any node-based subgraph GNN falls into one of the six SWL equivalence classes, among which $\mathsf{SSWL}$ achieves the maximal expressive power. We also study how these equivalence classes differ in terms of their practical expressiveness such as encoding graph distance and biconnectivity. Furthermore, we give a tight expressivity upper bound of all SWL algorithms by establishing a close relation with localized versions of WL and Folklore WL (FWL) tests. Our results provide insights into the power of existing subgraph GNNs, guide the design of new architectures, and point out their limitations by revealing an inherent gap with the 2-FWL test. Finally, experiments demonstrate that $\mathsf{SSWL}$-inspired subgraph GNNs can significantly outperform prior architectures on multiple benchmarks despite great simplicity.

cs.LG↗