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The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the $k$-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms ($k$-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Early-exit neural networks (EENNs) enable adaptive and efficient inference by providing predictions at multiple stages during the forward pass. In safety-critical applications, these predictions are meaningful only when accompanied by reliable uncertainty estimates. A popular method for quantifying the uncertainty of predictive models is the use of prediction sets. However, we demonstrate that standard techniques such as conformal prediction and Bayesian credible sets are not suitable for EENNs. They tend to generate non-nested sets across exits, meaning that labels deemed improbable at one exit may reappear in the prediction set of a subsequent exit. To address this issue, we investigate anytime-valid confidence sequences (AVCSs), an extension of traditional confidence intervals tailored for data-streaming scenarios. These sequences are inherently nested and thus well-suited for an EENN's sequential predictions. We explore the theoretical and practical challenges of using AVCSs in EENNs and show that they indeed yield nested sets across exits. Thus our work presents a promising approach towards fast, yet still safe, predictive modeling

While spiking neural networks (SNNs) offer a promising neurally-inspired model of computation, they are vulnerable to adversarial attacks. We present the first study that draws inspiration from neural homeostasis to design a threshold-adapting leaky integrate-and-fire (TA-LIF) neuron model and utilize TA-LIF neurons to construct the adversarially robust homeostatic SNNs (HoSNNs) for improved robustness. The TA-LIF model incorporates a self-stabilizing dynamic thresholding mechanism, offering a local feedback control solution to the minimization of each neuron's membrane potential error caused by adversarial disturbance. Theoretical analysis demonstrates favorable dynamic properties of TA-LIF neurons in terms of the bounded-input bounded-output stability and suppressed time growth of membrane potential error, underscoring their superior robustness compared with the standard LIF neurons. When trained with weak FGSM attacks (attack budget = 2/255) and tested with much stronger PGD attacks (attack budget = 8/255), our HoSNNs significantly improve model accuracy on several datasets: from 30.54% to 74.91% on FashionMNIST, from 0.44% to 35.06% on SVHN, from 0.56% to 42.63% on CIFAR10, from 0.04% to 16.66% on CIFAR100, over the conventional LIF-based SNNs.

Branch-and-bound (BaB) is among the most effective methods for neural network (NN) verification. However, existing works on BaB have mostly focused on NNs with piecewise linear activations, especially ReLU networks. In this paper, we develop a general framework, named GenBaB, to conduct BaB for general nonlinearities in general computational graphs based on linear bound propagation. To decide which neuron to branch, we design a new branching heuristic which leverages linear bounds as shortcuts to efficiently estimate the potential improvement after branching. To decide nontrivial branching points for general nonlinear functions, we propose to optimize branching points offline, which can be efficiently leveraged during verification with a lookup table. We demonstrate the effectiveness of our GenBaB on verifying a wide range of NNs, including networks with activation functions such as Sigmoid, Tanh, Sine and GeLU, as well as networks involving multi-dimensional nonlinear operations such as multiplications in LSTMs and Vision Transformers. Our framework also allows the verification of general nonlinear computation graphs and enables verification applications beyond simple neural networks, particularly for AC Optimal Power Flow (ACOPF). GenBaB is part of the latest $\alpha,\!\beta$-CROWN, the winner of the 4th International Verification of Neural Networks Competition (VNN-COMP 2023).

We study differentially private (DP) mean estimation in the case where each person holds multiple samples. Commonly referred to as the "user-level" setting, DP here requires the usual notion of distributional stability when all of a person's datapoints can be modified. Informally, if $n$ people each have $m$ samples from an unknown $d$-dimensional distribution with bounded $k$-th moments, we show that \[n = \tilde \Theta\left(\frac{d}{\alpha^2 m} + \frac{d }{ \alpha m^{1/2} \varepsilon} + \frac{d}{\alpha^{k/(k-1)} m \varepsilon} + \frac{d}{\varepsilon}\right)\] people are necessary and sufficient to estimate the mean up to distance $\alpha$ in $\ell_2$-norm under $\varepsilon$-differential privacy (and its common relaxations). In the multivariate setting, we give computationally efficient algorithms under approximate DP (with slightly degraded sample complexity) and computationally inefficient algorithms under pure DP, and our nearly matching lower bounds hold for the most permissive case of approximate DP. Our computationally efficient estimators are based on the well known noisy-clipped-mean approach, but the analysis for our setting requires new bounds on the tails of sums of independent, vector-valued, bounded-moments random variables, and a new argument for bounding the bias introduced by clipping.

Large Language Models (LLMs) are shifting how scientific research is done. It is imperative to understand how researchers interact with these models and how scientific sub-communities like astronomy might benefit from them. However, there is currently no standard for evaluating the use of LLMs in astronomy. Therefore, we present the experimental design for an evaluation study on how astronomy researchers interact with LLMs. We deploy a Slack chatbot that can answer queries from users via Retrieval-Augmented Generation (RAG); these responses are grounded in astronomy papers from arXiv. We record and anonymize user questions and chatbot answers, user upvotes and downvotes to LLM responses, user feedback to the LLM, and retrieved documents and similarity scores with the query. Our data collection method will enable future dynamic evaluations of LLM tools for astronomy.

Capsule networks (CapsNets) were introduced to address convolutional neural networks limitations, learning object-centric representations that are more robust, pose-aware, and interpretable. They organize neurons into groups called capsules, where each capsule encodes the instantiation parameters of an object or one of its parts. Moreover, a routing algorithm connects capsules in different layers, thereby capturing hierarchical part-whole relationships in the data. This thesis investigates the intriguing aspects of CapsNets and focuses on three key questions to unlock their full potential. First, we explore the effectiveness of the routing algorithm, particularly in small-sized networks. We propose a novel method that anneals the number of routing iterations during training, enhancing performance in architectures with fewer parameters. Secondly, we investigate methods to extract more effective first-layer capsules, also known as primary capsules. By exploiting pruned backbones, we aim to improve computational efficiency by reducing the number of capsules while achieving high generalization. This approach reduces CapsNets memory requirements and computational effort. Third, we explore part-relationship learning in CapsNets. Through extensive research, we demonstrate that capsules with low entropy can extract more concise and discriminative part-whole relationships compared to traditional capsule networks, even with reasonable network sizes. Lastly, we showcase how CapsNets can be utilized in real-world applications, including autonomous localization of unmanned aerial vehicles, quaternion-based rotations prediction in synthetic datasets, and lung nodule segmentation in biomedical imaging. The findings presented in this thesis contribute to a deeper understanding of CapsNets and highlight their potential to address complex computer vision challenges.

We consider a decentralized optimization problem for networks affected by communication delays. Examples of such networks include collaborative machine learning, sensor networks, and multi-agent systems. To mimic communication delays, we add virtual non-computing nodes to the network, resulting in directed graphs. This motivates investigating decentralized optimization solutions on directed graphs. Existing solutions assume nodes know their out-degrees, resulting in limited applicability. To overcome this limitation, we introduce a novel gossip-based algorithm, called DT-GO, that does not need to know the out-degrees. The algorithm is applicable in general directed networks, for example networks with delays or limited acknowledgment capabilities. We derive convergence rates for both convex and non-convex objectives, showing that our algorithm achieves the same complexity order as centralized Stochastic Gradient Descent. In other words, the effects of the graph topology and delays are confined to higher-order terms. Additionally, we extend our analysis to accommodate time-varying network topologies. Numerical simulations are provided to support our theoretical findings.

Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.

Pre-trained deep neural network language models such as ELMo, GPT, BERT and XLNet have recently achieved state-of-the-art performance on a variety of language understanding tasks. However, their size makes them impractical for a number of scenarios, especially on mobile and edge devices. In particular, the input word embedding matrix accounts for a significant proportion of the model's memory footprint, due to the large input vocabulary and embedding dimensions. Knowledge distillation techniques have had success at compressing large neural network models, but they are ineffective at yielding student models with vocabularies different from the original teacher models. We introduce a novel knowledge distillation technique for training a student model with a significantly smaller vocabulary as well as lower embedding and hidden state dimensions. Specifically, we employ a dual-training mechanism that trains the teacher and student models simultaneously to obtain optimal word embeddings for the student vocabulary. We combine this approach with learning shared projection matrices that transfer layer-wise knowledge from the teacher model to the student model. Our method is able to compress the BERT_BASE model by more than 60x, with only a minor drop in downstream task metrics, resulting in a language model with a footprint of under 7MB. Experimental results also demonstrate higher compression efficiency and accuracy when compared with other state-of-the-art compression techniques.