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One of the most promising applications of quantum computers is to simulate quantum mechanical systems and deliver an advantage to classical computation by leveraging their inherent quantum behaviour. In this work, we present a new approach to achieve a noise tolerant Hamiltonian simulation algorithm for ground state energy estimation which also surmounts stochastic limitations most of its counterparts face. This algorithm is based on an adaptive set of fuzzy bisection searches to estimate the ground state energy digit by digit that can get to any arbitrary target precision. It builds upon the Quantum Eigenvalue Transformation of Unitary Matrices (QETU) algorithm and it delivers good approximations in simulations with quantum depolarizing probability up to 1e-3, particularly for the Transverse-Field Ising Model (TFIM). We ran simulations with different system Hamiltonians, system sizes and time evolution encoding methods on IBM Qiskit and we demonstrate the key results in this work, as well as compare the performance with other existing methods.

Knowledge distillation is the process of transferring knowledge from a more powerful large model (teacher) to a simpler counterpart (student). Numerous current approaches involve the student imitating the knowledge of the teacher directly. However, redundancy still exists in the learned representations through these prevalent methods, which tend to learn each spatial location's features indiscriminately. To derive a more compact representation (concept feature) from the teacher, inspired by human cognition, we suggest an innovative method, termed Generative Denoise Distillation (GDD), where stochastic noises are added to the concept feature of the student to embed them into the generated instance feature from a shallow network. Then, the generated instance feature is aligned with the knowledge of the instance from the teacher. We extensively experiment with object detection, instance segmentation, and semantic segmentation to demonstrate the versatility and effectiveness of our method. Notably, GDD achieves new state-of-the-art performance in the tasks mentioned above. We have achieved substantial improvements in semantic segmentation by enhancing PspNet and DeepLabV3, both of which are based on ResNet-18, resulting in mIoU scores of 74.67 and 77.69, respectively, surpassing their previous scores of 69.85 and 73.20 on the Cityscapes dataset of 20 categories. The source code is available at //github.com/ZhgLiu/GDD.

Conventional finite element methods are known to be tedious in adaptive refinements due to their conformal regularity requirements. Further, the enrichment functions for adaptive refinements are often not readily available in general applications. This work introduces a novel neural network-enriched Partition of Unity (NN-PU) approach for solving boundary value problems via artificial neural networks with a potential energy-based loss function minimization. The flexibility and adaptivity of the NN function space are utilized to capture complex solution patterns that the conventional Galerkin methods fail to capture. The NN enrichment is constructed by combining pre-trained feature-encoded NN blocks with an additional untrained NN block. The pre-trained NN blocks learn specific local features during the offline stage, enabling efficient enrichment of the approximation space during the online stage through the Ritz-type energy minimization. The NN enrichment is introduced under the Partition of Unity (PU) framework, ensuring convergence of the proposed method. The proposed NN-PU approximation and feature-encoded transfer learning forms an adaptive approximation framework, termed the neural-refinement (n-refinement), for solving boundary value problems. Demonstrated by solving various elasticity problems, the proposed method offers accurate solutions while notably reducing the computational cost compared to the conventional adaptive refinement in the mesh-based methods.

In an era where test-time adaptation methods increasingly rely on the nuanced manipulation of batch normalization (BN) parameters, one critical assumption often goes overlooked: that of independently and identically distributed (i.i.d.) test batches with respect to unknown labels. This assumption culminates in biased estimates of BN statistics and jeopardizes system stability under non-i.i.d. conditions. This paper pioneers a departure from the i.i.d. paradigm by introducing a groundbreaking strategy termed "Un-Mixing Test-Time Normalization Statistics" (UnMix-TNS). UnMix-TNS re-calibrates the instance-wise statistics used to normalize each instance in a batch by mixing it with multiple unmixed statistics components, thus inherently simulating the i.i.d. environment. The key lies in our innovative online unmixing procedure, which persistently refines these statistics components by drawing upon the closest instances from an incoming test batch. Remarkably generic in its design, UnMix-TNS seamlessly integrates with an array of state-of-the-art test-time adaptation methods and pre-trained architectures equipped with BN layers. Empirical evaluations corroborate the robustness of UnMix-TNS under varied scenarios ranging from single to continual and mixed domain shifts. UnMix-TNS stands out when handling test data streams with temporal correlation, including those with corrupted real-world non-i.i.d. streams, sustaining its efficacy even with minimal batch sizes and individual samples. Our results set a new standard for test-time adaptation, demonstrating significant improvements in both stability and performance across multiple benchmarks.

Traffic forecasting, a crucial application of spatio-temporal graph (STG) learning, has traditionally relied on deterministic models for accurate point estimations. Yet, these models fall short of identifying latent risks of unexpected volatility in future observations. To address this gap, probabilistic methods, especially variants of diffusion models, have emerged as uncertainty-aware solutions. However, existing diffusion methods typically focus on generating separate future time series for individual sensors in the traffic network, resulting in insufficient involvement of spatial network characteristics in the probabilistic learning process. To better leverage spatial dependencies and systematic patterns inherent in traffic data, we propose SpecSTG, a novel spectral diffusion framework. Our method generates the Fourier representation of future time series, transforming the learning process into the spectral domain enriched with spatial information. Additionally, our approach incorporates a fast spectral graph convolution designed for Fourier input, alleviating the computational burden associated with existing models. Numerical experiments show that SpecSTG achieves outstanding performance with traffic flow and traffic speed datasets compared to state-of-the-art baselines. The source code for SpecSTG is available at //anonymous.4open.science/r/SpecSTG.

Labeled data are critical to modern machine learning applications, but obtaining labels can be expensive. To mitigate this cost, machine learning methods, such as transfer learning, semi-supervised learning and active learning, aim to be label-efficient: achieving high predictive performance from relatively few labeled examples. While obtaining the best label-efficiency in practice often requires combinations of these techniques, existing benchmark and evaluation frameworks do not capture a concerted combination of all such techniques. This paper addresses this deficiency by introducing LabelBench, a new computationally-efficient framework for joint evaluation of multiple label-efficient learning techniques. As an application of LabelBench, we introduce a novel benchmark of state-of-the-art active learning methods in combination with semi-supervised learning for fine-tuning pretrained vision transformers. Our benchmark demonstrates better label-efficiencies than previously reported in active learning. LabelBench's modular codebase is open-sourced for the broader community to contribute label-efficient learning methods and benchmarks. The repository can be found at: //github.com/EfficientTraining/LabelBench.

Advancing automated programming necessitates robust and comprehensive code generation benchmarks, yet current evaluation frameworks largely neglect object-oriented programming (OOP) in favor of functional programming (FP), e.g., HumanEval and MBPP. To address this, our study introduces a pioneering OOP-focused benchmark, featuring 431 Python programs that encompass essential OOP concepts and features like classes and encapsulation methods. We propose a novel evaluation metric, pass@o, tailored for OOP, enhancing traditional pass@k measures. Our evaluation of 23 leading large language models (LLMs), including both general and code-specialized models, reveals three key insights: 1) pass@o offers a more relevant and comprehensive assessment for OOP code generation; 2) Despite excelling in FP, code-specialized LLMs like WizardCoder lag in OOP compared to models like ChatGPT; 3) The poor performance of all advanced LLMs on our OOP benchmark highlights a critical need for improvements in this field. Our benchmark and scripts are publicly released at: //github.com/alphadl/OOP-eval.

Data slice-finding is an emerging technique for evaluating machine learning models. It works by identifying subgroups within a specified dataset that exhibit poor performance, often defined by distinct feature sets or meta-information. However, in the context of unstructured image data, data slice-finding poses two notable challenges: it requires additional metadata -- a laborious and costly requirement, and also demands non-trivial efforts for interpreting the root causes of the underperformance within data slices. To address these challenges, we introduce AttributionScanner, an innovative human-in-the-loop Visual Analytics (VA) system, designed for data-slicing-based machine learning (ML) model validation. Our approach excels in identifying interpretable data slices, employing explainable features extracted through the lens of Explainable AI (XAI) techniques, and removing the necessity for additional metadata of textual annotations or cross-model embeddings. AttributionScanner demonstrates proficiency in pinpointing critical model issues, including spurious correlations and mislabeled data. Our novel VA interface visually summarizes data slices, enabling users to gather insights into model behavior patterns effortlessly. Furthermore, our framework closes the ML Development Cycle by empowering domain experts to address model issues by using a cutting-edge neural network regularization technique. The efficacy of AttributionScanner is underscored through two prototype use cases, elucidating its substantial effectiveness in model validation for vision-centric tasks. Our approach paves the way for ML researchers and practitioners to drive interpretable model validation in a data-efficient way, ultimately leading to more reliable and accurate models.

Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.

Generative commonsense reasoning which aims to empower machines to generate sentences with the capacity of reasoning over a set of concepts is a critical bottleneck for text generation. Even the state-of-the-art pre-trained language generation models struggle at this task and often produce implausible and anomalous sentences. One reason is that they rarely consider incorporating the knowledge graph which can provide rich relational information among the commonsense concepts. To promote the ability of commonsense reasoning for text generation, we propose a novel knowledge graph augmented pre-trained language generation model KG-BART, which encompasses the complex relations of concepts through the knowledge graph and produces more logical and natural sentences as output. Moreover, KG-BART can leverage the graph attention to aggregate the rich concept semantics that enhances the model generalization on unseen concept sets. Experiments on benchmark CommonGen dataset verify the effectiveness of our proposed approach by comparing with several strong pre-trained language generation models, particularly KG-BART outperforms BART by 5.80, 4.60, in terms of BLEU-3, 4. Moreover, we also show that the generated context by our model can work as background scenarios to benefit downstream commonsense QA tasks.