Foster Adaptivity and Balance in Learning with Noisy Labels

Label noise is ubiquitous in real-world scenarios, posing a practical challenge to supervised models due to its effect in hurting the generalization performance of deep neural networks. Existing methods primarily employ the sample selection paradigm and usually rely on dataset-dependent prior knowledge (\eg, a pre-defined threshold) to cope with label noise, inevitably degrading the adaptivity. Moreover, existing methods tend to neglect the class balance in selecting samples, leading to biased model performance. To this end, we propose a simple yet effective approach named \textbf{SED} to deal with label noise in a \textbf{S}elf-adaptiv\textbf{E} and class-balance\textbf{D} manner. Specifically, we first design a novel sample selection strategy to empower self-adaptivity and class balance when identifying clean and noisy data. A mean-teacher model is then employed to correct labels of noisy samples. Subsequently, we propose a self-adaptive and class-balanced sample re-weighting mechanism to assign different weights to detected noisy samples. Finally, we additionally employ consistency regularization on selected clean samples to improve model generalization performance. Extensive experimental results on synthetic and real-world datasets demonstrate the effectiveness and superiority of our proposed method. The source code has been made available at https://github.com/NUST-Machine-Intelligence-Laboratory/SED.

Knowledge Transfer with Simulated Inter-Image Erasing for Weakly Supervised Semantic Segmentation

Though adversarial erasing has prevailed in weakly supervised semantic segmentation to help activate integral object regions, existing approaches still suffer from the dilemma of under-activation and over-expansion due to the difficulty in determining when to stop erasing. In this paper, we propose a \textbf{K}nowledge \textbf{T}ransfer with \textbf{S}imulated Inter-Image \textbf{E}rasing (KTSE) approach for weakly supervised semantic segmentation to alleviate the above problem. In contrast to existing erasing-based methods that remove the discriminative part for more object discovery, we propose a simulated inter-image erasing scenario to weaken the original activation by introducing extra object information. Then, object knowledge is transferred from the anchor image to the consequent less activated localization map to strengthen network localization ability. Considering the adopted bidirectional alignment will also weaken the anchor image activation if appropriate constraints are missing, we propose a self-supervised regularization module to maintain the reliable activation in discriminative regions and improve the inter-class object boundary recognition for complex images with multiple categories of objects. In addition, we resort to intra-image erasing and propose a multi-granularity alignment module to gently enlarge the object activation to boost the object knowledge transfer. Extensive experiments and ablation studies on PASCAL VOC 2012 and COCO datasets demonstrate the superiority of our proposed approach. Source codes and models are available at https://github.com/NUST-Machine-Intelligence-Laboratory/KTSE.

DEEP-ICL: Definition-Enriched Experts for Language Model In-Context Learning

It has long been assumed that the sheer number of parameters in large language models (LLMs) drives in-context learning (ICL) capabilities, enabling remarkable performance improvements by leveraging task-specific demonstrations. Challenging this hypothesis, we introduce DEEP-ICL, a novel task Definition Enriched ExPert Ensembling methodology for ICL. DEEP-ICL explicitly extracts task definitions from given demonstrations and generates responses through learning task-specific examples. We argue that improvement from ICL does not directly rely on model size, but essentially stems from understanding task definitions and task-guided learning. Inspired by this, DEEP-ICL combines two 3B models with distinct roles (one for concluding task definitions and the other for learning task demonstrations) and achieves comparable performance to LLaMA2-13B. Furthermore, our framework outperforms conventional ICL by overcoming pretraining sequence length limitations, by supporting unlimited demonstrations. We contend that DEEP-ICL presents a novel alternative for achieving efficient few-shot learning, extending beyond the conventional ICL.

K-Link: Knowledge-Link Graph from LLMs for Enhanced Representation Learning in Multivariate Time-Series Data

Sourced from various sensors and organized chronologically, Multivariate Time-Series (MTS) data involves crucial spatial-temporal dependencies, e.g., correlations among sensors. To capture these dependencies, Graph Neural Networks (GNNs) have emerged as powerful tools, yet their effectiveness is restricted by the quality of graph construction from MTS data. Typically, existing approaches construct graphs solely from MTS signals, which may introduce bias due to a small training dataset and may not accurately represent underlying dependencies. To address this challenge, we propose a novel framework named K-Link, leveraging Large Language Models (LLMs) to encode extensive general knowledge and thereby providing effective solutions to reduce the bias. Leveraging the knowledge embedded in LLMs, such as physical principles, we extract a \textit{Knowledge-Link graph}, capturing vast semantic knowledge of sensors and the linkage of the sensor-level knowledge. To harness the potential of the knowledge-link graph in enhancing the graph derived from MTS data, we propose a graph alignment module, facilitating the transfer of semantic knowledge within the knowledge-link graph into the MTS-derived graph. By doing so, we can improve the graph quality, ensuring effective representation learning with GNNs for MTS data. Extensive experiments demonstrate the efficacy of our approach for superior performance across various MTS-related downstream tasks.

On Robustness and Generalization of ML-Based Congestion Predictors to Valid and Imperceptible Perturbations

There is substantial interest in the use of machine learning (ML)-based techniques throughout the electronic computer-aided design (CAD) flow, particularly methods based on deep learning. However, while deep learning methods have achieved state-of-the-art performance in several applications, recent work has demonstrated that neural networks are generally vulnerable to small, carefully chosen perturbations of their input (e.g. a single pixel change in an image). In this work, we investigate robustness in the context of ML-based EDA tools -- particularly for congestion prediction. As far as we are aware, we are the first to explore this concept in the context of ML-based EDA. We first describe a novel notion of imperceptibility designed specifically for VLSI layout problems defined on netlists and cell placements. Our definition of imperceptibility is characterized by a guarantee that a perturbation to a layout will not alter its global routing. We then demonstrate that state-of-the-art CNN and GNN-based congestion models exhibit brittleness to imperceptible perturbations. Namely, we show that when a small number of cells (e.g. 1%-5% of cells) have their positions shifted such that a measure of global congestion is guaranteed to remain unaffected (e.g. 1% of the design adversarially shifted by 0.001% of the layout space results in a predicted decrease in congestion of up to 90%, while no change in congestion is implied by the perturbation). In other words, the quality of a predictor can be made arbitrarily poor (i.e. can be made to predict that a design is "congestion-free") for an arbitrary input layout. Next, we describe a simple technique to train predictors that improves robustness to these perturbations. Our work indicates that CAD engineers should be cautious when integrating neural network-based mechanisms in EDA flows to ensure robust and high-quality results.

SEA++: Multi-Graph-based High-Order Sensor Alignment for Multivariate Time-Series Unsupervised Domain Adaptation

Unsupervised Domain Adaptation (UDA) methods have been successful in reducing label dependency by minimizing the domain discrepancy between a labeled source domain and an unlabeled target domain. However, these methods face challenges when dealing with Multivariate Time-Series (MTS) data. MTS data typically consist of multiple sensors, each with its own unique distribution. This characteristic makes it hard to adapt existing UDA methods, which mainly focus on aligning global features while overlooking the distribution discrepancies at the sensor level, to reduce domain discrepancies for MTS data. To address this issue, a practical domain adaptation scenario is formulated as Multivariate Time-Series Unsupervised Domain Adaptation (MTS-UDA). In this paper, we propose SEnsor Alignment (SEA) for MTS-UDA, aiming to reduce domain discrepancy at both the local and global sensor levels. At the local sensor level, we design endo-feature alignment, which aligns sensor features and their correlations across domains. To reduce domain discrepancy at the global sensor level, we design exo-feature alignment that enforces restrictions on global sensor features. We further extend SEA to SEA++ by enhancing the endo-feature alignment. Particularly, we incorporate multi-graph-based high-order alignment for both sensor features and their correlations. Extensive empirical results have demonstrated the state-of-the-art performance of our SEA and SEA++ on public MTS datasets for MTS-UDA.

Graph Contextual Contrasting for Multivariate Time Series Classification

Contrastive learning, as a self-supervised learning paradigm, becomes popular for Multivariate Time-Series (MTS) classification. It ensures the consistency across different views of unlabeled samples and then learns effective representations for these samples. Existing contrastive learning methods mainly focus on achieving temporal consistency with temporal augmentation and contrasting techniques, aiming to preserve temporal patterns against perturbations for MTS data. However, they overlook spatial consistency that requires the stability of individual sensors and their correlations. As MTS data typically originate from multiple sensors, ensuring spatial consistency becomes essential for the overall performance of contrastive learning on MTS data. Thus, we propose Graph Contextual Contrasting (GCC) for spatial consistency across MTS data. Specifically, we propose graph augmentations including node and edge augmentations to preserve the stability of sensors and their correlations, followed by graph contrasting with both node- and graph-level contrasting to extract robust sensor- and global-level features. We further introduce multi-window temporal contrasting to ensure temporal consistency in the data for each sensor. Extensive experiments demonstrate that our proposed GCC achieves state-of-the-art performance on various MTS classification tasks.

Fully-Connected Spatial-Temporal Graph for Multivariate Time Series Data

Multivariate Time-Series (MTS) data is crucial in various application fields. With its sequential and multi-source (multiple sensors) properties, MTS data inherently exhibits Spatial-Temporal (ST) dependencies, involving temporal correlations between timestamps and spatial correlations between sensors in each timestamp. To effectively leverage this information, Graph Neural Network-based methods (GNNs) have been widely adopted. However, existing approaches separately capture spatial dependency and temporal dependency and fail to capture the correlations between Different sEnsors at Different Timestamps (DEDT). Overlooking such correlations hinders the comprehensive modelling of ST dependencies within MTS data, thus restricting existing GNNs from learning effective representations. To address this limitation, we propose a novel method called Fully-Connected Spatial-Temporal Graph Neural Network (FC-STGNN), including two key components namely FC graph construction and FC graph convolution. For graph construction, we design a decay graph to connect sensors across all timestamps based on their temporal distances, enabling us to fully model the ST dependencies by considering the correlations between DEDT. Further, we devise FC graph convolution with a moving-pooling GNN layer to effectively capture the ST dependencies for learning effective representations. Extensive experiments show the effectiveness of FC-STGNN on multiple MTS datasets compared to SOTA methods.

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This paper aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

Assessment of Reinforcement Learning for Macro Placement

We provide open, transparent implementation and assessment of Google Brain's deep reinforcement learning approach to macro placement and its Circuit Training (CT) implementation in GitHub. We implement in open source key "blackbox" elements of CT, and clarify discrepancies between CT and Nature paper. New testcases on open enablements are developed and released. We assess CT alongside multiple alternative macro placers, with all evaluation flows and related scripts public in GitHub. Our experiments also encompass academic mixed-size placement benchmarks, as well as ablation and stability studies. We comment on the impact of Nature and CT, as well as directions for future research.