Generative models based on flow matching have demonstrated remarkable success in various domains, yet they suffer from a fundamental limitation: the lack of interpretability in their intermediate generation steps. In fact these models learn to transform noise into data through a series of vector field updates, however the meaning of each step remains opaque. We address this problem by proposing a general framework constraining each flow step to be sampled from a known physical distribution. Flow trajectories are mapped to (and constrained to traverse) the equilibrium states of the simulated physical process. We implement this approach through the 2D Ising model in such a way that flow steps become thermal equilibrium points along a parametric cooling schedule. Our proposed architecture includes an encoder that maps discrete Ising configurations into a continuous latent space, a flow-matching network that performs temperature-driven diffusion, and a projector that returns to discrete Ising states while preserving physical constraints. We validate this framework across multiple lattice sizes, showing that it preserves physical fidelity while outperforming Monte Carlo generation in speed as the lattice size increases. In contrast with standard flow matching, each vector field represents a meaningful stepwise transition in the 2D Ising model's latent space. This demonstrates that embedding physical semantics into generative flows transforms opaque neural trajectories into interpretable physical processes.

Phase transitions mark qualitative reorganizations of collective behavior, yet identifying their boundaries remains challenging whenever analytic solutions are absent and conventional simulations fail. Here we introduce learnability as a universal criterion, defined as the ability of a transformer model containing attention mechanism to extract structure from microscopic states. Using self-supervised learning and Monte Carlo generated configurations of the two-dimensional Ising model, we show that ordered phases correspond to enhanced learnability, manifested in both reduced training loss and structured attention patterns, while disordered phases remain resistant to learning. Two unsupervised diagnostics, the sharp jump in training loss and the rise in attention entropy, recover the critical temperature in excellent agreement with the exact value. Our results establish learnability as a data-driven marker of phase transitions and highlight deep parallels between long-range order in condensed matter and the emergence of structure in modern language models.

Recent years have seen a rise in the application of machine learning techniques to aid the simulation of hard-to-sample systems that cannot be studied using traditional methods. Despite the introduction of many different architectures and procedures, a wide theoretical understanding is still lacking, with the risk of suboptimal implementations. As a first step to address this gap, we provide here a complete analytic study of the widely-used Sequential Tempering procedure applied to a shallow MADE architecture for the Curie-Weiss model. The contribution of this work is twofold: firstly, we give a description of the optimal weights and of the training under Gradient Descent optimization. Secondly, we compare what happens in Sequential Tempering with and without the addition of local Metropolis Monte Carlo steps. We are thus able to give theoretical predictions on the best procedure to apply in this case. This work establishes a clear theoretical basis for the integration of machine learning techniques into Monte Carlo sampling and optimization.

Recently, gradient-based discrete sampling has emerged as a highly efficient, general-purpose solver for various combinatorial optimization (CO) problems, achieving performance comparable to or surpassing the popular data-driven approaches. However, we identify a critical issue in these methods, which we term ''wandering in contours''. This behavior refers to sampling new different solutions that share very similar objective values for a long time, leading to computational inefficiency and suboptimal exploration of potential solutions. In this paper, we introduce a novel reheating mechanism inspired by the concept of critical temperature and specific heat in physics, aimed at overcoming this limitation. Empirically, our method demonstrates superiority over existing sampling-based and data-driven algorithms across a diverse array of CO problems.

We address an inverse problem in modeling holographic superconductors. We focus our research on the critical temperature behavior depicted by experiments. We use a physics-informed neural network method to find a mass function $M(F^2)$, which is necessary to understand phase transition behavior. This mass function describes a nonlinear interaction between superconducting order and charge carrier density. We introduce positional embedding layers to improve the learning process in our algorithm, and the Adam optimization is used to predict the critical temperature data via holographic calculation with appropriate accuracy. Consideration of the positional embedding layers is motivated by the transformer model of natural-language processing in the artificial intelligence (AI) field. We obtain holographic models that reproduce borderlines of the normal and superconducting phases provided by actual data. Our work is the first holographic attempt to match phase transition data quantitatively obtained from experiments. Also, the present work offers a new methodology for data-based holographic models.

We introduce Annealed Multiple Choice Learning (aMCL) which combines simulated annealing with MCL. MCL is a learning framework handling ambiguous tasks by predicting a small set of plausible hypotheses. These hypotheses are trained using the Winner-takes-all (WTA) scheme, which promotes the diversity of the predictions. However, this scheme may converge toward an arbitrarily suboptimal local minimum, due to the greedy nature of WTA. We overcome this limitation using annealing, which enhances the exploration of the hypothesis space during training. We leverage insights from statistical physics and information theory to provide a detailed description of the model training trajectory. Additionally, we validate our algorithm by extensive experiments on synthetic datasets, on the standard UCI benchmark, and on speech separation.

We present a modification of the Rose-Machta algorithm (Phys. Rev. E 100 (2019) 063304) and estimate the density of states for a two-dimensional Blume-Capel model, simulating $10^5$ replicas in parallel for each set of parameters. We perform a finite-size analysis of the specific heat and Binder cumulant, determine the critical temperature along the critical line, and evaluate the critical exponents. The results obtained are in good agreement with those obtained previously using various methods -- Markov Chain Monte Carlo simulation, Wang-Landau simulation, transfer matrix, and series expansion. The simulation results clearly illustrate the typical behavior of specific heat along the critical lines and through the tricritical point.

As powerful as machine learning (ML) techniques are in solving problems involving data with large dimensionality, explaining the results from the fitted parameters remains a challenging task of utmost importance, especially in physics applications. This work shows how this can be accomplished for the ferromagnetic Ising model, the main target of several ML studies in statistical physics. Here it is demonstrated that the successful unsupervised identification of the phases and order parameter by principal component analysis, a common method in those studies, detects that the magnetization per spin has its greatest variation with the temperature, the actual control parameter of the phase transition. Then, by using a neural network (NN) without hidden layers (the simplest possible) and informed by the symmetry of the Hamiltonian, an explanation is provided for the strategy used in finding the supervised learning solution for the critical temperature of the model's continuous phase transition. This allows the prediction of the minimal extension of the NN to solve the problem when the symmetry is not known, which becomes also explainable. These results pave the way to a physics-informed explainable generalized framework, enabling the extraction of physical laws and principles from the parameters of the models.

Integrating deep learning with the search for new electron-phonon superconductors represents a burgeoning field of research, where the primary challenge lies in the computational intensity of calculating the electron-phonon spectral function, $\alpha^2F(\omega)$, the essential ingredient of Midgal-Eliashberg theory of superconductivity. To overcome this challenge, we adopt a two-step approach. First, we compute $\alpha^2F(\omega)$ for 818 dynamically stable materials. We then train a deep-learning model to predict $\alpha^2F(\omega)$, using an unconventional training strategy to temper the model's overfitting, enhancing predictions. Specifically, we train a Bootstrapped Ensemble of Tempered Equivariant graph neural NETworks (BETE-NET), obtaining an MAE of 0.21, 45 K, and 43 K for the Eliashberg moments derived from $\alpha^2F(\omega)$: $\lambda$, $\omega_{\log}$, and $\omega_{2}$, respectively, yielding an MAE of 2.5 K for the critical temperature, $T_c$. Further, we incorporate domain knowledge of the site-projected phonon density of states to impose inductive bias into the model's node attributes and enhance predictions. This methodological innovation decreases the MAE to 0.18, 29 K, and 28 K, respectively, yielding an MAE of 2.1 K for $T_c$. We illustrate the practical application of our model in high-throughput screening for high-$T_c$ materials. The model demonstrates an average precision nearly five times higher than random screening, highlighting the potential of ML in accelerating superconductor discovery. BETE-NET accelerates the search for high-$T_c$ superconductors while setting a precedent for applying ML in materials discovery, particularly when data is limited.

We propose reinforcement learning to control the dynamical self-assembly of the dodecagonal quasicrystal (DDQC) from patchy particles. The patchy particles have anisotropic interactions with other particles and form DDQC. However, their structures at steady states are significantly influenced by the kinetic pathways of their structural formation. We estimate the best policy of temperature control trained by the Q-learning method and demonstrate that we can generate DDQC with few defects using the estimated policy. The temperature schedule obtained by reinforcement learning can reproduce the desired structure more efficiently than the conventional pre-fixed temperature schedule, such as annealing. To clarify the success of the learning, we also analyse a simple model describing the kinetics of structural changes through the motion in a triple-well potential. We have found that reinforcement learning autonomously discovers the critical temperature at which structural fluctuations enhance the chance of forming a globally stable state. The estimated policy guides the system toward the critical temperature to assist the formation of DDQC.