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Federated Learning is a machine learning approach that enables the training of a deep learning model among several participants with sensitive data that wish to share their own knowledge without compromising the privacy of their data. In this research, the authors employ a secured Federated Learning method with an additional layer of privacy and proposes a method for addressing the non-IID challenge. Moreover, differential privacy is compared with chaotic-based encryption as layer of privacy. The experimental approach assesses the performance of the federated deep learning model with differential privacy using both IID and non-IID data. In each experiment, the Federated Learning process improves the average performance metrics of the deep neural network, even in the case of non-IID data.

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared to long MD simulations. Our open-source implementation is available at //github.com/lujiarui/Str2Str

Purpose: To assess the alignment of GPT-4-based evaluation to human clinician experts, for the evaluation of responses to ophthalmology-related patient queries generated by fine-tuned LLM chatbots. Methods: 400 ophthalmology questions and paired answers were created by ophthalmologists to represent commonly asked patient questions, divided into fine-tuning (368; 92%), and testing (40; 8%). We find-tuned 5 different LLMs, including LLAMA2-7b, LLAMA2-7b-Chat, LLAMA2-13b, and LLAMA2-13b-Chat. For the testing dataset, additional 8 glaucoma QnA pairs were included. 200 responses to the testing dataset were generated by 5 fine-tuned LLMs for evaluation. A customized clinical evaluation rubric was used to guide GPT-4 evaluation, grounded on clinical accuracy, relevance, patient safety, and ease of understanding. GPT-4 evaluation was then compared against ranking by 5 clinicians for clinical alignment. Results: Among all fine-tuned LLMs, GPT-3.5 scored the highest (87.1%), followed by LLAMA2-13b (80.9%), LLAMA2-13b-chat (75.5%), LLAMA2-7b-Chat (70%) and LLAMA2-7b (68.8%) based on the GPT-4 evaluation. GPT-4 evaluation demonstrated significant agreement with human clinician rankings, with Spearman and Kendall Tau correlation coefficients of 0.90 and 0.80 respectively; while correlation based on Cohen Kappa was more modest at 0.50. Notably, qualitative analysis and the glaucoma sub-analysis revealed clinical inaccuracies in the LLM-generated responses, which were appropriately identified by the GPT-4 evaluation. Conclusion: The notable clinical alignment of GPT-4 evaluation highlighted its potential to streamline the clinical evaluation of LLM chatbot responses to healthcare-related queries. By complementing the existing clinician-dependent manual grading, this efficient and automated evaluation could assist the validation of future developments in LLM applications for healthcare.

We consider a resource-constrained Edge Device (ED), such as an IoT sensor or a microcontroller unit, embedded with a small-size ML model (S-ML) for a generic classification application and an Edge Server (ES) that hosts a large-size ML model (L-ML). Since the inference accuracy of S-ML is lower than that of the L-ML, offloading all the data samples to the ES results in high inference accuracy, but it defeats the purpose of embedding S-ML on the ED and deprives the benefits of reduced latency, bandwidth savings, and energy efficiency of doing local inference. In order to get the best out of both worlds, i.e., the benefits of doing inference on the ED and the benefits of doing inference on ES, we explore the idea of Hierarchical Inference (HI), wherein S-ML inference is only accepted when it is correct, otherwise the data sample is offloaded for L-ML inference. However, the ideal implementation of HI is infeasible as the correctness of the S-ML inference is not known to the ED. We propose an online meta-learning framework that the ED can use to predict the correctness of the S-ML inference. In particular, we propose to use the maximum softmax value output by S-ML for a data sample and decide whether to offload it or not. The resulting online learning problem turns out to be a Prediction with Expert Advice (PEA) problem with continuous expert space. We propose two different algorithms and prove sublinear regret bounds for them without any assumption on the smoothness of the loss function. We evaluate and benchmark the performance of the proposed algorithms for image classification application using four datasets, namely, Imagenette and Imagewoof, MNIST, and CIFAR-10.

Under a generalised estimating equation analysis approach, approximate design theory is used to determine Bayesian D-optimal designs. For two examples, considering simple exchangeable and exponential decay correlation structures, we compare the efficiency of identified optimal designs to balanced stepped-wedge designs and corresponding stepped-wedge designs determined by optimising using a normal approximation approach. The dependence of the Bayesian D-optimal designs on the assumed correlation structure is explored; for the considered settings, smaller decay in the correlation between outcomes across time periods, along with larger values of the intra-cluster correlation, leads to designs closer to a balanced design being optimal. Unlike for normal data, it is shown that the optimal design need not be centro-symmetric in the binary outcome case. The efficiency of the Bayesian D-optimal design relative to a balanced design can be large, but situations are demonstrated in which the advantages are small. Similarly, the optimal design from a normal approximation approach is often not much less efficient than the Bayesian D-optimal design. Bayesian D-optimal designs can be readily identified for stepped-wedge cluster randomised trials with binary outcome data. In certain circumstances, principally ones with strong time period effects, they will indicate that a design unlikely to have been identified by previous methods may be substantially more efficient. However, they require a larger number of assumptions than existing optimal designs, and in many situations existing theory under a normal approximation will provide an easier means of identifying an efficient design for binary outcome data.

The singular value decomposition (SVD) is a crucial tool in machine learning and statistical data analysis. However, it is highly susceptible to outliers in the data matrix. Existing robust SVD algorithms often sacrifice speed for robustness or fail in the presence of only a few outliers. This study introduces an efficient algorithm, called Spherically Normalized SVD, for robust SVD approximation that is highly insensitive to outliers, computationally scalable, and provides accurate approximations of singular vectors. The proposed algorithm achieves remarkable speed by utilizing only two applications of a standard reduced-rank SVD algorithm to appropriately scaled data, significantly outperforming competing algorithms in computation times. To assess the robustness of the approximated singular vectors and their subspaces against data contamination, we introduce new notions of breakdown points for matrix-valued input, including row-wise, column-wise, and block-wise breakdown points. Theoretical and empirical analyses demonstrate that our algorithm exhibits higher breakdown points compared to standard SVD and its modifications. We empirically validate the effectiveness of our approach in applications such as robust low-rank approximation and robust principal component analysis of high-dimensional microarray datasets. Overall, our study presents a highly efficient and robust solution for SVD approximation that overcomes the limitations of existing algorithms in the presence of outliers.

Table understanding capability of Large Language Models (LLMs) has been extensively studied through the task of question-answering (QA) over tables. Typically, only a small part of the whole table is relevant to derive the answer for a given question. The irrelevant parts act as noise and are distracting information, resulting in sub-optimal performance due to the vulnerability of LLMs to noise. To mitigate this, we propose CABINET (Content RelevAnce-Based NoIse ReductioN for TablE QuesTion-Answering) - a framework to enable LLMs to focus on relevant tabular data by suppressing extraneous information. CABINET comprises an Unsupervised Relevance Scorer (URS), trained differentially with the QA LLM, that weighs the table content based on its relevance to the input question before feeding it to the question-answering LLM (QA LLM). To further aid the relevance scorer, CABINET employs a weakly supervised module that generates a parsing statement describing the criteria of rows and columns relevant to the question and highlights the content of corresponding table cells. CABINET significantly outperforms various tabular LLM baselines, as well as GPT3-based in-context learning methods, is more robust to noise, maintains outperformance on tables of varying sizes, and establishes new SoTA performance on WikiTQ, FeTaQA, and WikiSQL datasets. We release our code and datasets at //github.com/Sohanpatnaik106/CABINET_QA.

We propose and analyze an adaptive adversary that can retrain a Trojaned DNN and is also aware of SOTA output-based Trojaned model detectors. We show that such an adversary can ensure (1) high accuracy on both trigger-embedded and clean samples and (2) bypass detection. Our approach is based on an observation that the high dimensionality of the DNN parameters provides sufficient degrees of freedom to simultaneously achieve these objectives. We also enable SOTA detectors to be adaptive by allowing retraining to recalibrate their parameters, thus modeling a co-evolution of parameters of a Trojaned model and detectors. We then show that this co-evolution can be modeled as an iterative game, and prove that the resulting (optimal) solution of this interactive game leads to the adversary successfully achieving the above objectives. In addition, we provide a greedy algorithm for the adversary to select a minimum number of input samples for embedding triggers. We show that for cross-entropy or log-likelihood loss functions used by the DNNs, the greedy algorithm provides provable guarantees on the needed number of trigger-embedded input samples. Extensive experiments on four diverse datasets -- MNIST, CIFAR-10, CIFAR-100, and SpeechCommand -- reveal that the adversary effectively evades four SOTA output-based Trojaned model detectors: MNTD, NeuralCleanse, STRIP, and TABOR.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.

Machine Learning has been the quintessential solution for many AI problems, but learning is still heavily dependent on the specific training data. Some learning models can be incorporated with a prior knowledge in the Bayesian set up, but these learning models do not have the ability to access any organised world knowledge on demand. In this work, we propose to enhance learning models with world knowledge in the form of Knowledge Graph (KG) fact triples for Natural Language Processing (NLP) tasks. Our aim is to develop a deep learning model that can extract relevant prior support facts from knowledge graphs depending on the task using attention mechanism. We introduce a convolution-based model for learning representations of knowledge graph entity and relation clusters in order to reduce the attention space. We show that the proposed method is highly scalable to the amount of prior information that has to be processed and can be applied to any generic NLP task. Using this method we show significant improvement in performance for text classification with News20, DBPedia datasets and natural language inference with Stanford Natural Language Inference (SNLI) dataset. We also demonstrate that a deep learning model can be trained well with substantially less amount of labeled training data, when it has access to organised world knowledge in the form of knowledge graph.