Predicting body fat can provide medical practitioners and users with essential information for preventing and diagnosing heart diseases. Hybrid machine learning models offer better performance than simple regression analysis methods by selecting relevant body measurements and capturing complex nonlinear relationships among selected features in modelling body fat prediction problems. There are, however, some disadvantages to them. Current machine learning. Modelling body fat prediction as a combinatorial single- and multi-objective optimisation problem often gets stuck in local optima. When multiple feature subsets produce similar or close predictions, avoiding local optima becomes more complex. Evolutionary feature selection has been used to solve several machine-learning-based optimisation problems. A fuzzy set theory determines appropriate levels of exploration and exploitation while managing parameterisation and computational costs. A weighted-sum body fat prediction approach was explored using evolutionary feature selection, fuzzy set theory, and machine learning algorithms, integrating contradictory metrics into a single composite goal optimised by fuzzy adaptive evolutionary feature selection. Hybrid fuzzy adaptive global learning local search universal diversity-based feature selection is applied to this single-objective feature selection-machine learning framework (FAGLSUD-based FS-ML). While using fewer features, this model achieved a more accurate and stable estimate of body fat percentage than other hybrid and state-of-the-art machine learning models. A multi-objective FAGLSUD-based FS-MLP is also proposed to analyse accuracy, stability, and dimensionality conflicts simultaneously. To make informed decisions about fat deposits in the most vital body parts and blood lipid levels, medical practitioners and users can use a well-distributed Pareto set of trade-off solutions.

This paper considers the sparse recovery with shuffled labels, i.e., $\by = \bPitrue \bX \bbetatrue + \bw$, where $\by \in \RR^n$, $\bPi\in \RR^{n\times n}$, $\bX\in \RR^{n\times p}$, $\bbetatrue\in \RR^p$, $\bw \in \RR^n$ denote the sensing result, the unknown permutation matrix, the design matrix, the sparse signal, and the additive noise, respectively. Our goal is to reconstruct both the permutation matrix $\bPitrue$ and the sparse signal $\bbetatrue$. We investigate this problem from both the statistical and computational aspects. From the statistical aspect, we first establish the minimax lower bounds on the sample number $n$ and the \emph{signal-to-noise ratio} ($\snr$) for the correct recovery of permutation matrix $\bPitrue$ and the support set $\supp(\bbetatrue)$, to be more specific, $n \gtrsim k\log p$ and $\log\snr \gtrsim \log n + \frac{k\log p}{n}$. Then, we confirm the tightness of these minimax lower bounds by presenting an exhaustive-search based estimator whose performance matches the lower bounds thereof up to some multiplicative constants. From the computational aspect, we impose a parsimonious assumption on the number of permuted rows and propose a computationally-efficient estimator accordingly. Moreover, we show that our proposed estimator can obtain the ground-truth $(\bPitrue, \supp(\bbetatrue))$ under mild conditions. Furthermore, we provide numerical experiments to corroborate our claims.

This paper presents an efficient approach to object manipulation planning using Monte Carlo Tree Search (MCTS) to find contact sequences and an efficient ADMM-based trajectory optimization algorithm to evaluate the dynamic feasibility of candidate contact sequences. To accelerate MCTS, we propose a methodology to learn a goal-conditioned policy-value network to direct the search towards promising nodes. Further, manipulation-specific heuristics enable to drastically reduce the search space. Systematic object manipulation experiments in a physics simulator and on real hardware demonstrate the efficiency of our approach. In particular, our approach scales favorably for long manipulation sequences thanks to the learned policy-value network, significantly improving planning success rate.

We propose UTSP, an unsupervised learning (UL) framework for solving the Travelling Salesman Problem (TSP). We train a Graph Neural Network (GNN) using a surrogate loss. The GNN outputs a heat map representing the probability for each edge to be part of the optimal path. We then apply local search to generate our final prediction based on the heat map. Our loss function consists of two parts: one pushes the model to find the shortest path and the other serves as a surrogate for the constraint that the route should form a Hamiltonian Cycle. Experimental results show that UTSP outperforms the existing data-driven TSP heuristics. Our approach is parameter efficient as well as data efficient: the model takes $\sim$ 10\% of the number of parameters and $\sim$ 0.2\% of training samples compared with reinforcement learning or supervised learning methods.

Differentiable Architecture Search (DARTS) has attracted considerable attention as a gradient-based neural architecture search method. Since the introduction of DARTS, there has been little work done on adapting the action space based on state-of-art architecture design principles for CNNs. In this work, we aim to address this gap by incrementally augmenting the DARTS search space with micro-design changes inspired by ConvNeXt and studying the trade-off between accuracy, evaluation layer count, and computational cost. We introduce the Pseudo-Inverted Bottleneck Conv (PIBConv) block intending to reduce the computational footprint of the inverted bottleneck block proposed in ConvNeXt. Our proposed architecture is much less sensitive to evaluation layer count and outperforms a DARTS network with similar size significantly, at layer counts as small as 2. Furthermore, with less layers, not only does it achieve higher accuracy with lower computational footprint (measured in GMACs) and parameter count, GradCAM comparisons show that our network can better detect distinctive features of target objects compared to DARTS. Code is available from https://github.com/mahdihosseini/PIBConv.

In this paper, we study the OOD generalization of neural algorithmic reasoning tasks, where the goal is to learn an algorithm (e.g., sorting, breadth-first search, and depth-first search) from input-output pairs using deep neural networks. First, we argue that OOD generalization in this setting is significantly different than common OOD settings. For example, some phenomena in OOD generalization of image classifications such as \emph{accuracy on the line} are not observed here, and techniques such as data augmentation methods do not help as assumptions underlying many augmentation techniques are often violated. Second, we analyze the main challenges (e.g., input distribution shift, non-representative data generation, and uninformative validation metrics) of the current leading benchmark, i.e., CLRS \citep{deepmind2021clrs}, which contains 30 algorithmic reasoning tasks. We propose several solutions, including a simple-yet-effective fix to the input distribution shift and improved data generation. Finally, we propose an attention-based 2WL-graph neural network (GNN) processor which complements message-passing GNNs so their combination outperforms the state-of-the-art model by a 3% margin averaged over all algorithms. Our code is available at: \url{https://github.com/smahdavi4/clrs}.

Data-driven algorithms are only as good as the data they work with, while data sets, especially social data, often fail to represent minorities adequately. Representation Bias in data can happen due to various reasons ranging from historical discrimination to selection and sampling biases in the data acquisition and preparation methods. Given that "bias in, bias out", one cannot expect AI-based solutions to have equitable outcomes for societal applications, without addressing issues such as representation bias. While there has been extensive study of fairness in machine learning models, including several review papers, bias in the data has been less studied. This paper reviews the literature on identifying and resolving representation bias as a feature of a data set, independent of how consumed later. The scope of this survey is bounded to structured (tabular) and unstructured (e.g., image, text, graph) data. It presents taxonomies to categorize the studied techniques based on multiple design dimensions and provides a side-by-side comparison of their properties. There is still a long way to fully address representation bias issues in data. The authors hope that this survey motivates researchers to approach these challenges in the future by observing existing work within their respective domains.

Abstract: In this paper, by constructing hard examples of CSP (with large domains) and SAT (with long clauses), we prove that such examples cannot be solved without exhaustive search, which implies a weaker conclusion P NP. This constructive approach for proving impossibility results is very different (and missing) from those currently used in computational complexity theory, but is similar to that used by Kurt Gödel in proving his famous logical impossibility results. Just as shown by Gödel's results that formal unprovability is provable in mathematics, the results of this paper show that proving computational hardness is not hard in mathematics. Abstract: We propose a nonvariational scheme for geometry optimization of molecules for the first-quantized eigensolver, a recently proposed framework for quantum chemistry using the probabilistic imaginary-time evolution (PITE) on a quantum computer. While the electrons in a molecule are treated in the scheme as quantum mechanical particles, the nuclei are treated as classical point charges.

Abstract: Symbolic regression is a powerful system identification technique in industrial scenarios where no prior knowledge on model structure is available. Such scenarios often require specific model properties such as interpretability, robustness, trustworthiness and plausibility, that are not easily achievable using standard approaches like genetic programming for symbolic regression. In this chapter we introduce a deterministic symbolic regression algorithm specifically designed to address these issues. The algorithm uses a context-free grammar to produce models that are parameterized by a non-linear least squares local optimization procedure. A finite enumeration of all possible models is guaranteed by structural restrictions as well as a caching mechanism for detecting semantically equivalent solutions.

In this paper, a new feature selection algorithm, called SFE (Simple, Fast, and Efficient), is proposed for high-dimensional datasets. The SFE algorithm performs its search process using a search agent and two operators: non-selection and selection. It comprises two phases: exploration and exploitation. In the exploration phase, the non-selection operator performs a global search in the entire problem search space for the irrelevant, redundant, trivial, and noisy features, and changes the status of the features from selected mode to non-selected mode. In the exploitation phase, the selection operator searches the problem search space for the features with a high impact on the classification results, and changes the status of the features from non-selected mode to selected mode. The proposed SFE is successful in feature selection from high-dimensional datasets. However, after reducing the dimensionality of a dataset, its performance cannot be increased significantly. In these situations, an evolutionary computational method could be used to find a more efficient subset of features in the new and reduced search space. To overcome this issue, this paper proposes a hybrid algorithm, SFE-PSO (particle swarm optimization) to find an optimal feature subset. The efficiency and effectiveness of the SFE and the SFE-PSO for feature selection are compared on 40 high-dimensional datasets. Their performances were compared with six recently proposed feature selection algorithms. The results obtained indicate that the two proposed algorithms significantly outperform the other algorithms, and can be used as efficient and effective algorithms in selecting features from high-dimensional datasets.