Miracle-dz/UniFAR-FTUs huggingface dataset:
Persistent Laplacian-enhanced Algorithm for Scarcely Labeled Data Classification

The success of many machine learning (ML) methods depends crucially on having large amounts of labeled data. However, obtaining enough labeled data can be expensive, time-consuming, and subject to ethical constraints for many applications. One approach that has shown tremendous value in addressing this challenge is semi-supervised learning (SSL); this technique utilizes both labeled and unlabeled data during training, often with much less labeled data than unlabeled data, which is often relatively easy and inexpensive to obtain. In fact, SSL methods are particularly useful in applications where the cost of labeling data is especially expensive, such as medical analysis, natural language processing (NLP), or speech recognition. A subset of SSL methods that have achieved great success in various domains involves algorithms that integrate graph-based techniques. These procedures are popular due to the vast amount of information provided by the graphical framework and the versatility of their applications. In this work, we propose an algebraic topology-based semi-supervised method called persistent Laplacian-enhanced graph MBO (PL-MBO) by integrating persistent spectral graph theory with the classical Merriman-Bence- Osher (MBO) scheme. Specifically, we use a filtration procedure to generate a sequence of chain complexes and associated families of simplicial complexes, from which we construct a family of persistent Laplacians. Overall, it is a very efficient procedure that requires much less labeled data to perform well compared to many ML techniques, and it can be adapted for both small and large datasets. We evaluate the performance of the proposed method on data classification, and the results indicate that the proposed technique outperforms other existing semi-supervised algorithms.
Rethinking Diversity in Deep Neural Network Testing

Motivated by the success of traditional software testing, numerous diversity measures have been proposed for testing deep neural networks (DNNs). In this study, we propose a shift in perspective, advocating for the consideration of DNN testing as directed testing problems rather than diversity-based testing tasks. We note that the objective of testing DNNs is specific and well-defined: identifying inputs that lead to misclassifications. Consequently, a more precise testing approach is to prioritize inputs with a higher potential to induce misclassifications, as opposed to emphasizing inputs that enhance"diversity. "We derive six directed metrics for DNN testing. Furthermore, we conduct a careful analysis of the appropriate scope for each metric, as applying metrics beyond their intended scope could significantly diminish their effectiveness. Our evaluation demonstrates that (1) diversity metrics are particularly weak indicators for identifying buggy inputs resulting from small input perturbations, and (2) our directed metrics consistently outperform diversity metrics in revealing erroneous behaviors of DNNs across all scenarios.
Diversify Your Vision Datasets with Automatic Diffusion-Based Augmentation

Many fine-grained classification tasks, like rare animal identification, have limited training data and consequently classifiers trained on these datasets often fail to generalize to variations in the domain like changes in weather or location. As such, we explore how natural language descriptions of the domains seen in training data can be used with large vision models trained on diverse pretraining datasets to generate useful variations of the training data. We introduce ALIA (Automated Language-guided Image Augmentation), a method which utilizes large vision and language models to automatically generate natural language descriptions of a dataset's domains and augment the training data via language-guided image editing. To maintain data integrity, a model trained on the original dataset filters out minimal image edits and those which corrupt class-relevant information. The resulting dataset is visually consistent with the original training data and offers significantly enhanced diversity. We show that ALIA is able to surpasses traditional data augmentation and text-to-image generated data on fine-grained classification tasks, including cases of domain generalization and contextual bias. Code is available at https://github.com/lisadunlap/ALIA.
Multilingual Text-to-Speech Synthesis for Turkic Languages Using Transliteration

This work aims to build a multilingual text-to-speech (TTS) synthesis system for ten lower-resourced Turkic languages: Azerbaijani, Bashkir, Kazakh, Kyrgyz, Sakha, Tatar, Turkish, Turkmen, Uyghur, and Uzbek. We specifically target the zero-shot learning scenario, where a TTS model trained using the data of one language is applied to synthesise speech for other, unseen languages. An end-to-end TTS system based on the Tacotron 2 architecture was trained using only the available data of the Kazakh language. To generate speech for the other Turkic languages, we first mapped the letters of the Turkic alphabets onto the symbols of the International Phonetic Alphabet (IPA), which were then converted to the Kazakh alphabet letters. To demonstrate the feasibility of the proposed approach, we evaluated the multilingual Turkic TTS model subjectively and obtained promising results. To enable replication of the experiments, we make our code and dataset publicly available in our GitHub repository.
Modeling interlayer interactions and phonon thermal transport in silicene bilayers

We develop an accurate interlayer pairwise potential derived from the \textit{ab-initio} calculations and investigate the thermal transport of silicene bilayers within the framework of equilibrium molecular dynamics simulations. The electronic properties are found to be sensitive to the temperature with the opening of the band gap in the $\Gamma$$\rightarrow$M direction. The calculated phonon thermal conductivity of bilayer silicene is surprisingly higher than that of monolayer silicene, contrary to the trends reported for other classes of 2D materials like graphene and hBN bilayers. This counterintuitive behavior of the bilayer silicene is attributed to the interlayer interaction effects and inherent buckling, which lead to a higher group velocity in the LA$_1$/LA$_2$ phonon modes. The thermal conductivity of both the mono- and bilayer silicene decreases with temperature as $\kappa\sim T^{-0.9}$ because of the strong correlations between the characteristic timescales of heat current autocorrelation function and temperature ($\tau\sim T^{-0.75}$). The mechanisms underlying phonon thermal transport in silicene bilayers are further established by analyzing the temperature induced changes in acoustic group velocity.
Quantitatively Measuring and Contrastively Exploring Heterogeneity for Domain Generalization

Domain generalization (DG) is a prevalent problem in real-world applications, which aims to train well-generalized models for unseen target domains by utilizing several source domains. Since domain labels, i.e., which domain each data point is sampled from, naturally exist, most DG algorithms treat them as a kind of supervision information to improve the generalization performance. However, the original domain labels may not be the optimal supervision signal due to the lack of domain heterogeneity, i.e., the diversity among domains. For example, a sample in one domain may be closer to another domain, its original label thus can be the noise to disturb the generalization learning. Although some methods try to solve it by re-dividing domains and applying the newly generated dividing pattern, the pattern they choose may not be the most heterogeneous due to the lack of the metric for heterogeneity. In this paper, we point out that domain heterogeneity mainly lies in variant features under the invariant learning framework. With contrastive learning, we propose a learning potential-guided metric for domain heterogeneity by promoting learning variant features. Then we notice the differences between seeking variance-based heterogeneity and training invariance-based generalizable model. We thus propose a novel method called H eterogeneity-based Two-stage Contrastive Learning (HTCL) for the DG task. In the first stage, we generate the most heterogeneous dividing pattern with our contrastive metric. In the second stage, we employ an invariance-aimed contrastive learning by re-building pairs with the stable relation hinted by domains and classes, which better utilizes generated domain labels for generalization learning. Extensive experiments show HTCL better digs heterogeneity and yields great generalization performance.
Knowledge Diffusion for Distillation

The representation gap between teacher and student is an emerging topic in knowledge distillation (KD). To reduce the gap and improve the performance, current methods often resort to complicated training schemes, loss functions, and feature alignments, which are task-specific and feature-specific. In this paper, we state that the essence of these methods is to discard the noisy information and distill the valuable information in the feature, and propose a novel KD method dubbed DiffKD, to explicitly denoise and match features using diffusion models. Our approach is based on the observation that student features typically contain more noises than teacher features due to the smaller capacity of student model. To address this, we propose to denoise student features using a diffusion model trained by teacher features. This allows us to perform better distillation between the refined clean feature and teacher feature. Additionally, we introduce a light-weight diffusion model with a linear autoencoder to reduce the computation cost and an adaptive noise matching module to improve the denoising performance. Extensive experiments demonstrate that DiffKD is effective across various types of features and achieves state-of-the-art performance consistently on image classification, object detection, and semantic segmentation tasks. Code is available at https://github.com/hunto/DiffKD.
How do humans perceive adversarial text? A reality check on the validity and naturalness of word-based adversarial attacks

Natural Language Processing (NLP) models based on Machine Learning (ML) are susceptible to adversarial attacks – malicious algorithms that imperceptibly modify input text to force models into making incorrect predictions. However, evaluations of these attacks ignore the property of imperceptibility or study it under limited settings. This entails that adversarial perturbations would not pass any human quality gate and do not represent real threats to human-checked NLP systems. To bypass this limitation and enable proper assessment (and later, improvement) of NLP model robustness, we have surveyed 378 human participants about the perceptibility of text adversarial examples produced by state-of-the-art methods. Our results underline that existing text attacks are impractical in real-world scenarios where humans are involved. This contrasts with previous smaller-scale human studies, which reported overly optimistic conclusions regarding attack success. Through our work, we hope to position human perceptibility as a first-class success criterion for text attacks, and provide guidance for research to build effective attack algorithms and, in turn, design appropriate defence mechanisms.
Improved Multi-Scale Grid Rendering of Point Clouds for Radar Object Detection Networks

Architectures that first convert point clouds to a grid representation and then apply convolutional neural networks achieve good performance for radar-based object detection. However, the transfer from irregular point cloud data to a dense grid structure is often associated with a loss of information, due to the discretization and aggregation of points. In this paper, we propose a novel architecture, multi-scale KPPillarsBEV, that aims to mitigate the negative effects of grid rendering. Specifically, we propose a novel grid rendering method, KPBEV, which leverages the descriptive power of kernel point convolutions to improve the encoding of local point cloud contexts during grid rendering. In addition, we propose a general multi-scale grid rendering formulation to incorporate multi-scale feature maps into convolutional backbones of detection networks with arbitrary grid rendering methods. We perform extensive experiments on the nuScenes dataset and evaluate the methods in terms of detection performance and computational complexity. The proposed multi-scale KPPillarsBEV architecture outperforms the baseline by 5.37% and the previous state of the art by 2.88% in Car AP4.0 (average precision for a matching threshold of 4 meters) on the nuScenes validation set. Moreover, the proposed single-scale KPBEV grid rendering improves the Car AP4.0 by 2.90% over the baseline while maintaining the same inference speed.
Demystifying Oversmoothing in Attention-Based Graph Neural Networks

Oversmoothing in Graph Neural Networks (GNNs) refers to the phenomenon where increasing network depth leads to homogeneous node representations. While previous work has established that Graph Convolutional Networks (GCNs) exponentially lose expressive power, it remains controversial whether the graph attention mechanism can mitigate oversmoothing. In this work, we provide a definitive answer to this question through a rigorous mathematical analysis, by viewing attention-based GNNs as nonlinear time-varying dynamical systems and incorporating tools and techniques from the theory of products of inhomogeneous matrices and the joint spectral radius. We establish that, contrary to popular belief, the graph attention mechanism cannot prevent oversmoothing and loses expressive power exponentially. The proposed framework extends the existing results on oversmoothing for symmetric GCNs to a significantly broader class of GNN models, including random walk GCNs, Graph Attention Networks (GATs) and (graph) transformers. In particular, our analysis accounts for asymmetric, state-dependent and time-varying aggregation operators and a wide range of common nonlinear activation functions, such as ReLU, LeakyReLU, GELU and SiLU.
Linear Neural Network Layers Promote Learning Single- and Multiple-Index Models

This paper explores the implicit bias of overparameterized neural networks of depth greater than two layers. Our framework considers a family of networks of varying depths that all have the same capacity but different implicitly defined representation costs. The representation cost of a function induced by a neural network architecture is the minimum sum of squared weights needed for the network to represent the function; it reflects the function space bias associated with the architecture. Our results show that adding linear layers to a ReLU network yields a representation cost that favors functions that can be approximated by a low-rank linear operator composed with a function with low representation cost using a two-layer network. Specifically, using a neural network to fit training data with minimum representation cost yields an interpolating function that is nearly constant in directions orthogonal to a low-dimensional subspace. This means that the learned network will approximately be a single- or multiple-index model. Our experiments show that when this active subspace structure exists in the data, adding linear layers can improve generalization and result in a network that is well-aligned with the true active subspace.
Task-aware Distributed Source Coding under Dynamic Bandwidth

Efficient compression of correlated data is essential to minimize communication overload in multi-sensor networks. In such networks, each sensor independently compresses the data and transmits them to a central node due to limited communication bandwidth. A decoder at the central node decompresses and passes the data to a pre-trained machine learning-based task to generate the final output. Thus, it is important to compress the features that are relevant to the task. Additionally, the final performance depends heavily on the total available bandwidth. In practice, it is common to encounter varying availability in bandwidth, and higher bandwidth results in better performance of the task. We design a novel distributed compression framework composed of independent encoders and a joint decoder, which we call neural distributed principal component analysis (NDPCA). NDPCA flexibly compresses data from multiple sources to any available bandwidth with a single model, reducing computing and storage overhead. NDPCA achieves this by learning low-rank task representations and efficiently distributing bandwidth among sensors, thus providing a graceful trade-off between performance and bandwidth. Experiments show that NDPCA improves the success rate of multi-view robotic arm manipulation by 9% and the accuracy of object detection tasks on satellite imagery by 14% compared to an autoencoder with uniform bandwidth allocation.
Alleviating Exposure Bias in Diffusion Models through Sampling with Shifted Time Steps

Diffusion Probabilistic Models (DPM) have shown remarkable efficacy in the synthesis of high-quality images. However, their inference process characteristically requires numerous, potentially hundreds, of iterative steps, which could exaggerate the problem of exposure bias due to the training and inference discrepancy. Previous work has attempted to mitigate this issue by perturbing inputs during training, which consequently mandates the retraining of the DPM. In this work, we conduct a systematic study of exposure bias in DPM and, intriguingly, we find that the exposure bias could be alleviated with a novel sampling method that we propose, without retraining the model. We empirically and theoretically show that, during inference, for each backward time step $t$ and corresponding state $\hat{x}_t$, there might exist another time step $t_s$ which exhibits superior coupling with $\hat{x}_t$. Based on this finding, we introduce a sampling method named Time-Shift Sampler. Our framework can be seamlessly integrated to existing sampling algorithms, such as DDPM, DDIM and other high-order solvers, inducing merely minimal additional computations. Experimental results show our method brings significant and consistent improvements in FID scores on different datasets and sampling methods. For example, integrating Time-Shift Sampler to F-PNDM yields a FID=3.88, achieving 44.49\% improvements as compared to F-PNDM, on CIFAR-10 with 10 sampling steps, which is more performant than the vanilla DDIM with 100 sampling steps. Our code is available at https://github.com/Mingxiao-Li/TS-DPM.
Control invariant set enhanced safe reinforcement learning: improved sampling efficiency, guaranteed stability and robustness

Reinforcement learning (RL) is an area of significant research interest, and safe RL in particular is attracting attention due to its ability to handle safety-driven constraints that are crucial for real-world applications. This work proposes a novel approach to RL training, called control invariant set (CIS) enhanced RL, which leverages the advantages of utilizing the explicit form of CIS to improve stability guarantees and sampling efficiency. Furthermore, the robustness of the proposed approach is investigated in the presence of uncertainty. The approach consists of two learning stages: offline and online. In the offline stage, CIS is incorporated into the reward design, initial state sampling, and state reset procedures. This incorporation of CIS facilitates improved sampling efficiency during the offline training process. In the online stage, RL is retrained whenever the predicted next step state is outside of the CIS, which serves as a stability criterion, by introducing a Safety Supervisor to examine the safety of the action and make necessary corrections. The stability analysis is conducted for both cases, with and without uncertainty. To evaluate the proposed approach, we apply it to a simulated chemical reactor. The results show a significant improvement in sampling efficiency during offline training and closed-loop stability guarantee in the online implementation, with and without uncertainty.
A reduced phase space quantisation of a model in Algebraic Quantum Gravity with polarised $T^3$ Gowdy symmetry

We consider a reduced phase space quantisation of a model with $T^3$ Gowdy symmetry in which gravity has been coupled to Gaussian dust. We complete the quantisation programme in reduced loop quantum gravity (LQG) as well as algebraic quantum gravity (AQG) and derive a Schr\"odinger-like equation with a physical Hamiltonian operator encoding the dynamics. Due to the classical symmetries of the physical Hamiltonian, the operators are quantised in a graph-preserving way in both cases -- a difference to former models available in the literature. As a first step towards applications of the model in AQG, we consider an ansatz that we use to first construct zero volume states as specific solutions of the Schr\"odiger-like equation. We then also find states with a vanishing action of the Euclidean part of the physical Hamiltonian and investigate the degeneracies these states experience via the action of the Lorentzian part of the physical Hamiltonian. The results presented here can be taken as a starting point for deriving effective models as well as analysing the dynamics numerically in future work.
Differentially Private Synthetic Data via Foundation Model APIs 1: Images

Generating differentially private (DP) synthetic data that closely resembles the original private data is a scalable way to mitigate privacy concerns in the current data-driven world. In contrast to current practices that train customized models for this task, we aim to generate DP Synthetic Data via APIs (DPSDA), where we treat foundation models as blackboxes and only utilize their inference APIs. Such API-based, training-free approaches are easier to deploy as exemplified by the recent surge in the number of API-based apps. These approaches can also leverage the power of large foundation models which are only accessible via their inference APIs. However, this comes with greater challenges due to strictly more restrictive model access and the need to protect privacy from the API provider. In this paper, we present a new framework called Private Evolution (PE) to solve this problem and show its initial promise on synthetic images. Surprisingly, PE can match or even outperform state-of-the-art (SOTA) methods without any model training. For example, on CIFAR10 (with ImageNet as the public data), we achieve FID<= 7.9 with privacy cost {\epsilon} = 0.67, significantly improving the previous SOTA from {\epsilon} = 32. We further demonstrate the promise of applying PE on large foundation models such as Stable Diffusion to tackle challenging private datasets with a small number of high-resolution images. The code and data are released at https://github.com/microsoft/DPSDA.
Rules of plastic strain-induced phase transformations and nanostructure evolution under high-pressure and severe plastic flow

Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during an in-situ study of heterogeneous compression of strongly pre-deformed Zr in diamond anvil cell (DAC). Crystallite size and dislocation density of Zr are getting pressure-, plastic strain tensor- and strain-path-independent during {\alpha}-{\omega} phase transformation (PT) and depend solely on the volume fraction of {\omega}-Zr. Rough-DA produce a steady nanostructure in {\alpha}-Zr with lower crystallite size and larger dislocation density than smooth-DA, leading to a two-time reduction in a minimum pressure for {\alpha}-{\omega} PT to a record value 0.67 GPa. The kinetics of strain-induced PT unexpectedly depends on time.