The elusive nature of gradient-based optimization in neural networks is tied to their loss landscape geometry, which is poorly understood. However recent work has brought solid evidence that there is essentially no loss barrier between the local solutions of gradient descent, once accounting for weight-permutations that leave the network's computation unchanged. This raises questions for approximate inference in Bayesian neural networks (BNNs), where we are interested in marginalizing over multiple points in the loss landscape. In this work, we first extend the formalism of marginalized loss barrier and solution interpolation to BNNs, before proposing a matching algorithm to search for linearly connected solutions. This is achieved by aligning the distributions of two independent approximate Bayesian solutions with respect to permutation matrices. We build on the results of Ainsworth et al. (2023), reframing the problem as a combinatorial optimization one, using an approximation to the sum of bilinear assignment problem. We then experiment on a variety of architectures and datasets, finding nearly zero marginalized loss barriers for linearly connected solutions.

Learning from label proportions (LLP) is a generalization of supervised learning in which the training data is available as sets or bags of feature-vectors (instances) along with the average instance-label of each bag. The goal is to train a good instance classifier. While most previous works on LLP have focused on training models on such training data, computational learnability of LLP was only recently explored by [Saket'21, Saket'22] who showed worst case intractability of properly learning linear threshold functions (LTFs) from label proportions. However, their work did not rule out efficient algorithms for this problem on natural distributions. In this work we show that it is indeed possible to efficiently learn LTFs using LTFs when given access to random bags of some label proportion in which feature-vectors are, conditioned on their labels, independently sampled from a Gaussian distribution $N(\mathbf{\mu}, \mathbf{\Sigma})$. Our work shows that a certain matrix -- formed using covariances of the differences of feature-vectors sampled from the bags with and without replacement -- necessarily has its principal component, after a transformation, in the direction of the normal vector of the LTF. Our algorithm estimates the means and covariance matrices using subgaussian concentration bounds which we show can be applied to efficiently sample bags for approximating the normal direction. Using this in conjunction with novel generalization error bounds in the bag setting, we show that a low error hypothesis LTF can be identified. For some special cases of the $N(\mathbf{0}, \mathbf{I})$ distribution we provide a simpler mean estimation based algorithm. We include an experimental evaluation of our learning algorithms along with a comparison with those of [Saket'21, Saket'22] and random LTFs, demonstrating the effectiveness of our techniques.

In the task of Learning from Label Proportions (LLP), a model is trained on groups (a.k.a bags) of instances and their corresponding label proportions to predict labels for individual instances. LLP has been applied pre-dominantly on two types of datasets - image and tabular. In image LLP, bags of fixed size are created by randomly sampling instances from an underlying dataset. Bags created via this methodology are called random bags. Experimentation on Image LLP has been mostly on random bags on CIFAR-* and MNIST datasets. Despite being a very crucial task in privacy sensitive applications, tabular LLP does not yet have a open, large scale LLP benchmark. One of the unique properties of tabular LLP is the ability to create feature bags where all the instances in a bag have the same value for a given feature. It has been shown in prior research that feature bags are very common in practical, real world applications [Chen et. al '23, Saket et. al. '22]. In this paper, we address the lack of a open, large scale tabular benchmark. First we propose LLP-Bench, a suite of 56 LLP datasets (52 feature bag and 4 random bag datasets) created from the Criteo CTR prediction dataset consisting of 45 million instances. The 56 datasets represent diverse ways in which bags can be constructed from underlying tabular data. To the best of our knowledge, LLP-Bench is the first large scale tabular LLP benchmark with an extensive diversity in constituent datasets. Second, we propose four metrics that characterize and quantify the hardness of a LLP dataset. Using these four metrics we present deep analysis of the 56 datasets in LLP-Bench. Finally we present the performance of 9 SOTA and popular tabular LLP techniques on all the 56 datasets. To the best of our knowledge, our study consisting of more than 2500 experiments is the most extensive study of popular tabular LLP techniques in literature.

The core principle of Variational Inference (VI) is to convert the statistical inference problem of computing complex posterior probability densities into a tractable optimization problem. This property enables VI to be faster than several sampling-based techniques. However, the traditional VI algorithm is not scalable to large data sets and is unable to readily infer out-of-bounds data points without re-running the optimization process. Recent developments in the field, like stochastic-, black box-, and amortized-VI, have helped address these issues. Generative modeling tasks nowadays widely make use of amortized VI for its efficiency and scalability, as it utilizes a parameterized function to learn the approximate posterior density parameters. In this paper, we review the mathematical foundations of various VI techniques to form the basis for understanding amortized VI. Additionally, we provide an overview of the recent trends that address several issues of amortized VI, such as the amortization gap, generalization issues, inconsistent representation learning, and posterior collapse. Finally, we analyze alternate divergence measures that improve VI optimization.

The worst-case resource usage of a program can provide useful information for many software-engineering tasks, such as performance optimization and algorithmic-complexity-vulnerability discovery. This paper presents a generic, adaptive, and sound fuzzing framework, called DSE-SMC, for estimating worst-case resource usage. DSE-SMC is generic because it is black-box as long as the user provides an interface for retrieving resource-usage information on a given input; adaptive because it automatically balances between exploration and exploitation of candidate inputs; and sound because it is guaranteed to converge to the true resource-usage distribution of the analyzed program. DSE-SMC is built upon a key observation: resource accumulation in a program is isomorphic to the soft-conditioning mechanism in Bayesian probabilistic programming; thus, worst-case resource analysis is isomorphic to the maximum-a-posteriori-estimation problem of Bayesian statistics. DSE-SMC incorporates sequential Monte Carlo (SMC) -- a generic framework for Bayesian inference -- with adaptive evolutionary fuzzing algorithms, in a sound manner, i.e., DSE-SMC asymptotically converges to the posterior distribution induced by resource-usage behavior of the analyzed program. Experimental evaluation on Java applications demonstrates that DSE-SMC is significantly more effective than existing black-box fuzzing methods for worst-case analysis.

This paper proposes a Federated Learning Code Smell Detection (FedCSD) approach that allows organizations to collaboratively train federated ML models while preserving their data privacy. These assertions have been supported by three experiments that have significantly leveraged three manually validated datasets aimed at detecting and examining different code smell scenarios. In experiment 1, which was concerned with a centralized training experiment, dataset two achieved the lowest accuracy (92.30%) with fewer smells, while datasets one and three achieved the highest accuracy with a slight difference (98.90% and 99.5%, respectively). This was followed by experiment 2, which was concerned with cross-evaluation, where each ML model was trained using one dataset, which was then evaluated over the other two datasets. Results from this experiment show a significant drop in the model's accuracy (lowest accuracy: 63.80\%) where fewer smells exist in the training dataset, which has a noticeable reflection (technical debt) on the model's performance. Finally, the last and third experiments evaluate our approach by splitting the dataset into 10 companies. The ML model was trained on the company's site, then all model-updated weights were transferred to the server. Ultimately, an accuracy of 98.34% was achieved by the global model that has been trained using 10 companies for 100 training rounds. The results reveal a slight difference in the global model's accuracy compared to the highest accuracy of the centralized model, which can be ignored in favour of the global model's comprehensive knowledge, lower training cost, preservation of data privacy, and avoidance of the technical debt problem.

We introduce a univariate signal deconvolution method based on the principles of an approach to Artificial General Intelligence in order to build a general-purpose model of models independent of any arbitrarily assumed prior probability distribution. We investigate how non-random data may encode information about the physical properties, such as dimensions and length scales of the space in which a signal or message may have been originally encoded, embedded, or generated. Our multidimensional space reconstruction method is based on information theory and algorithmic probability, so that it is proven to be agnostic vis-a-vis the arbitrarily chosen encoding-decoding scheme, computable or semi-computable method of approximation to algorithmic complexity, and computational model. The results presented in this paper are useful for applications in coding theory, particularly in zero-knowledge one-way communication channels, such as in deciphering messages from unknown generating sources about which no prior knowledge is available and to which no return message can be sent. We argue that this method has the potential to be of great value in cryptography, signal processing, causal deconvolution, life and technosignature detection.

Federated Learning (FL) is currently one of the most popular technologies in the field of Artificial Intelligence (AI) due to its collaborative learning and ability to preserve client privacy. However, it faces challenges such as non-identically and non-independently distributed (non-IID) and data with imbalanced labels among local clients. To address these limitations, the research community has explored various approaches such as using local model parameters, federated generative adversarial learning, and federated representation learning. In our study, we propose a novel Clustered FedStack framework based on the previously published Stacked Federated Learning (FedStack) framework. The local clients send their model predictions and output layer weights to a server, which then builds a robust global model. This global model clusters the local clients based on their output layer weights using a clustering mechanism. We adopt three clustering mechanisms, namely K-Means, Agglomerative, and Gaussian Mixture Models, into the framework and evaluate their performance. We use Bayesian Information Criterion (BIC) with the maximum likelihood function to determine the number of clusters. The Clustered FedStack models outperform baseline models with clustering mechanisms. To estimate the convergence of our proposed framework, we use Cyclical learning rates.

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world homophilic and heterophilic graphs are comprised of a mixture of nodes in both homophilic and heterophilic structural patterns, exhibiting a structural disparity. However, the analysis of GNN performance with respect to nodes exhibiting different structural patterns, e.g., homophilic nodes in heterophilic graphs, remains rather limited. In the present study, we provide evidence that Graph Neural Networks(GNNs) on node classification typically perform admirably on homophilic nodes within homophilic graphs and heterophilic nodes within heterophilic graphs while struggling on the opposite node set, exhibiting a performance disparity. We theoretically and empirically identify effects of GNNs on testing nodes exhibiting distinct structural patterns. We then propose a rigorous, non-i.i.d PAC-Bayesian generalization bound for GNNs, revealing reasons for the performance disparity, namely the aggregated feature distance and homophily ratio difference between training and testing nodes. Furthermore, we demonstrate the practical implications of our new findings via (1) elucidating the effectiveness of deeper GNNs; and (2) revealing an over-looked distribution shift factor on graph out-of-distribution problem and proposing a new scenario accordingly.

Designing flexible probabilistic models over tree topologies is important for developing efficient phylogenetic inference methods. To do that, previous works often leverage the similarity of tree topologies via hand-engineered heuristic features which would require pre-sampled tree topologies and may suffer from limited approximation capability. In this paper, we propose a deep autoregressive model for phylogenetic inference based on graph neural networks (GNNs), called ARTree. By decomposing a tree topology into a sequence of leaf node addition operations and modeling the involved conditional distributions based on learnable topological features via GNNs, ARTree can provide a rich family of distributions over the entire tree topology space that have simple sampling algorithms and density estimation procedures, without using heuristic features. We demonstrate the effectiveness and efficiency of our method on a benchmark of challenging real data tree topology density estimation and variational Bayesian phylogenetic inference problems.