A Short Review on Novel Approaches for Maximum Clique Problem: from Classical algorithms to Graph Neural Networks and Quantum algorithms

This manuscript provides a comprehensive review of the Maximum Clique Problem, a computational problem that involves finding subsets of vertices in a graph that are all pairwise adjacent to each other. The manuscript covers in a simple way classical algorithms for solving the problem and includes a review of recent developments in graph neural networks and quantum algorithms. The review concludes with benchmarks for testing classical as well as new learning, and quantum algorithms.

The Garden of Forking Paths: Observing Dynamic Parameters Distribution in Large Language Models

A substantial gap persists in understanding the reasons behind the exceptional performance of the Transformer architecture in NLP. A particularly unexplored area involves the mechanistic description of how the distribution of parameters evolves over time during training. In this work we suggest that looking at the time evolution of the statistic distribution of model parameters, and specifically at bifurcation effects, can help understanding the model quality, potentially reducing training costs and evaluation efforts and empirically showing the reasons behind the effectiveness of weights sparsification.

Engineered Ordinary Differential Equations as Classification Algorithm (EODECA): thorough characterization and testing

EODECA (Engineered Ordinary Differential Equations as Classification Algorithm) is a novel approach at the intersection of machine learning and dynamical systems theory, presenting a unique framework for classification tasks [1]. This method stands out with its dynamical system structure, utilizing ordinary differential equations (ODEs) to efficiently handle complex classification challenges. The paper delves into EODECA's dynamical properties, emphasizing its resilience against random perturbations and robust performance across various classification scenarios. Notably, EODECA's design incorporates the ability to embed stable attractors in the phase space, enhancing reliability and allowing for reversible dynamics. In this paper, we carry out a comprehensive analysis by expanding on the work [1], and employing a Euler discretization scheme. In particular, we evaluate EODECA's performance across five distinct classification problems, examining its adaptability and efficiency. Significantly, we demonstrate EODECA's effectiveness on the MNIST and Fashion MNIST datasets, achieving impressive accuracies of $98.06\%$ and $88.21\%$, respectively. These results are comparable to those of a multi-layer perceptron (MLP), underscoring EODECA's potential in complex data processing tasks. We further explore the model's learning journey, assessing its evolution in both pre and post training environments and highlighting its ability to navigate towards stable attractors. The study also investigates the invertibility of EODECA, shedding light on its decision-making processes and internal workings. This paper presents a significant step towards a more transparent and robust machine learning paradigm, bridging the gap between machine learning algorithms and dynamical systems methodologies.

Complex Recurrent Spectral Network

This paper presents a novel approach to advancing artificial intelligence (AI) through the development of the Complex Recurrent Spectral Network ($\mathbb{C}$-RSN), an innovative variant of the Recurrent Spectral Network (RSN) model. The $\mathbb{C}$-RSN is designed to address a critical limitation in existing neural network models: their inability to emulate the complex processes of biological neural networks dynamically and accurately. By integrating key concepts from dynamical systems theory and leveraging principles from statistical mechanics, the $\mathbb{C}$-RSN model introduces localized non-linearity, complex fixed eigenvalues, and a distinct separation of memory and input processing functionalities. These features collectively enable the $\mathbb{C}$-RSN evolving towards a dynamic, oscillating final state that more closely mirrors biological cognition. Central to this work is the exploration of how the $\mathbb{C}$-RSN manages to capture the rhythmic, oscillatory dynamics intrinsic to biological systems, thanks to its complex eigenvalue structure and the innovative segregation of its linear and non-linear components. The model's ability to classify data through a time-dependent function, and the localization of information processing, is demonstrated with an empirical evaluation using the MNIST dataset. Remarkably, distinct items supplied as a sequential input yield patterns in time which bear the indirect imprint of the insertion order (and of the time of separation between contiguous insertions).

A Bridge between Dynamical Systems and Machine Learning: Engineered Ordinary Differential Equations as Classification Algorithm (EODECA)

In a world increasingly reliant on machine learning, the interpretability of these models remains a substantial challenge, with many equating their functionality to an enigmatic black box. This study seeks to bridge machine learning and dynamical systems. Recognizing the deep parallels between dense neural networks and dynamical systems, particularly in the light of non-linearities and successive transformations, this manuscript introduces the Engineered Ordinary Differential Equations as Classification Algorithms (EODECAs). Uniquely designed as neural networks underpinned by continuous ordinary differential equations, EODECAs aim to capitalize on the well-established toolkit of dynamical systems. Unlike traditional deep learning models, which often suffer from opacity, EODECAs promise both high classification performance and intrinsic interpretability. They are naturally invertible, granting them an edge in understanding and transparency over their counterparts. By bridging these domains, we hope to usher in a new era of machine learning models where genuine comprehension of data processes complements predictive prowess.

Stochastic Gradient Descent-like relaxation is equivalent to Glauber dynamics in discrete optimization and inference problems

Is Stochastic Gradient Descent (SGD) substantially different from Glauber dynamics? This is a fundamental question at the time of understanding the most used training algorithm in the field of Machine Learning, but it received no answer until now. Here we show that in discrete optimization and inference problems, the dynamics of an SGD-like algorithm resemble very closely that of Metropolis Monte Carlo with a properly chosen temperature, which depends on the mini-batch size. This quantitative matching holds both at equilibrium and in the out-of-equilibrium regime, despite the two algorithms having fundamental differences (e.g.\ SGD does not satisfy detailed balance). Such equivalence allows us to use results about performances and limits of Monte Carlo algorithms to optimize the mini-batch size in the SGD-like algorithm and make it efficient at recovering the signal in hard inference problems.

Phase transitions in the mini-batch size for sparse and dense neural networks

The use of mini-batches of data in training artificial neural networks is nowadays very common. Despite its broad usage, theories explaining quantitatively how large or small the optimal mini-batch size should be are missing. This work presents a systematic attempt at understanding the role of the mini-batch size in training two-layer neural networks. Working in the teacher-student scenario, with a sparse teacher, and focusing on tasks of different complexity, we quantify the effects of changing the mini-batch size $m$. We find that often the generalization performances of the student strongly depend on $m$ and may undergo sharp phase transitions at a critical value $m_c$, such that for $m<m_c$ the training process fails, while for $m>m_c$ the student learns perfectly or generalizes very well the teacher. Phase transitions are induced by collective phenomena firstly discovered in statistical mechanics and later observed in many fields of science. Finding a phase transition varying the mini-batch size raises several important questions on the role of a hyperparameter which have been somehow overlooked until now.

Nonequilibrium Monte Carlo for unfreezing variables in hard combinatorial optimization

Optimizing highly complex cost/energy functions over discrete variables is at the heart of many open problems across different scientific disciplines and industries. A major obstacle is the emergence of many-body effects among certain subsets of variables in hard instances leading to critical slowing down or collective freezing for known stochastic local search strategies. An exponential computational effort is generally required to unfreeze such variables and explore other unseen regions of the configuration space. Here, we introduce a quantum-inspired family of nonlocal Nonequilibrium Monte Carlo (NMC) algorithms by developing an adaptive gradient-free strategy that can efficiently learn key instance-wise geometrical features of the cost function. That information is employed on-the-fly to construct spatially inhomogeneous thermal fluctuations for collectively unfreezing variables at various length scales, circumventing costly exploration versus exploitation trade-offs. We apply our algorithm to two of the most challenging combinatorial optimization problems: random k-satisfiability (k-SAT) near the computational phase transitions and Quadratic Assignment Problems (QAP). We observe significant speedup and robustness over both specialized deterministic solvers and generic stochastic solvers. In particular, for 90% of random 4-SAT instances we find solutions that are inaccessible for the best specialized deterministic algorithm known as Survey Propagation (SP) with an order of magnitude improvement in the quality of solutions for the hardest 10% instances. We also demonstrate two orders of magnitude improvement in time-to-solution over the state-of-the-art generic stochastic solver known as Adaptive Parallel Tempering (APT).

Solving non-linear Kolmogorov equations in large dimensions by using deep learning: a numerical comparison of discretization schemes

Non-linear partial differential Kolmogorov equations are successfully used to describe a wide range of time dependent phenomena, in natural sciences, engineering or even finance. For example, in physical systems, the Allen-Cahn equation describes pattern formation associated to phase transitions. In finance, instead, the Black-Scholes equation describes the evolution of the price of derivative investment instruments. Such modern applications often require to solve these equations in high-dimensional regimes in which classical approaches are ineffective. Recently, an interesting new approach based on deep learning has been introduced by E, Han, and Jentzen [1][2]. The main idea is to construct a deep network which is trained from the samples of discrete stochastic differential equations underlying Kolmogorov's equation. The network is able to approximate, numerically at least, the solutions of the Kolmogorov equation with polynomial complexity in whole spatial domains. In this contribution we study variants of the deep networks by using different discretizations schemes of the stochastic differential equation. We compare the performance of the associated networks, on benchmarked examples, and show that, for some discretization schemes, improvements in the accuracy are possible without affecting the observed computational complexity.

Learning from Survey Propagation: a Neural Network for MAX-E-$3$-SAT

Many natural optimization problems are NP-hard, which implies that they are probably hard to solve exactly in the worst-case. However, in practice, it suffices to get reasonably good solutions for all (or even most) instances. This paper presents a new algorithm for computing approximate solution in ${\Theta(N})$ for the MAX-E-$3$-SAT problem by using deep learning methodology. This methodology allows us to create a learning algorithm able to fix Boolean variables by using local information obtained by the Survey Propagation algorithm. By performing an accurate analysis, on random CNF instances of the MAX-E-$3$-SAT with several Boolean variables, we show that this new algorithm, avoiding any decimation strategy, can build assignments better than a random one, even if the convergence of the messages is not found. Although this algorithm is not competitive with state-of-the-art MAX-SAT solvers, it can solve substantially larger and more difficult problems than it ever saw during training.