Energy-Based Models

Restricted Boltzmann machines (RBMs) represent data by shaping an energy landscape over visible and hidden configurations, but their discriminative use is fragile under out-of-distribution (OOD) inputs: samples outside the training distribution can be absorbed into one of the learned class basins rather than rejected. Here, we analyze this failure mode through the spectrum of the induced visible--visible interaction $J=WW^{T}$, where $W$ is the visible--hidden weight matrix. Relative to a Marchenko--Pastur random-matrix reference, conventional training spreads spectral weight into many weak, bulk-compatible directions, increasing the effective rank of $J$. When auxiliary random binary images are assigned to a rejection label during training, the learned interaction undergoes effective-rank collapse: weak bulk-like modes are depleted, spectral weight concentrates into fewer dominant eigendirections, and the effective rank of $J$ approaches that of the empirical data covariance matrix. The resulting RBM rejects structured OOD image datasets while preserving MNIST classification accuracy, showing that random auxiliary exposure can reshape both the interaction spectrum and the free-energy landscape of an energy-based classifier.

Recursive models show promise on reasoning and language tasks, yet their test-time scaling lacks a principled criterion for selecting trajectories or determining recurrent depth. We introduce Energy-guided Recursive Model (ERM), which uses Hopfield-type memories of valid local and global structures to assign intrinsic energies to candidate trajectories. These energies guide candidate selection and suggest an effective range of recurrent depths, implying that deeper recurrence does not necessarily improve reasoning accuracy. They also enable sampling methods such as parallel tempering to improve exploration. For reasoning tasks, ERM achieves optimal solutions on Sudoku ($98.97\%$), Pencil Puzzle Bench (PPBench, $88.04\%$) and Maze ($99.30\%$), reaching the best accuracy in recursive modeling. On language modeling, ERM reduces RedPajama-V2 perplexity by $1.74\%$ with marginal inference overhead. The results support energy guidance as a practical framework for improving test-time scaling in recursive models.

We present a general neurosymbolic reasoning and learning methodology based on a modular integration of answer set programming with an energy based model substrate. Key contributions are: (1) supporting joint optimisation in the continuous latent space through explicit ASP-based declarative semantics fully incorporating background knowledge, constraints, non-monotonic inference; and (2) advancing recent works at the interface of answer sets, probabilistic logic, and answer set modulo theories by providing a generalised model and practical platform for ASP-centric robust, end-to-end training for applications in dynamic domains (e.g., involving perception and interaction). We provide a practical implementation, and demonstrate basic use and application (with MNIST), and evaluate with the visual question-answering benchmark Clevr and the multi-object tracking benchmark MOT.

Interpretable explanation methods in Artificial Intelligence aim to uncover the underlying causes and their effects, enabling a deeper understanding of why a system behaves in a certain way under different inputs. Unlike traditional explainability methods, which mainly highlight correlations between input and output variables, causal explanation focuses on interventional questions. By doing so, it provides more robust insights, helping users understand automated decisions, especially in high-risk domains. Recovering an explicit directed causal structure, however, is often impractical in large-scale, hybrid cyber-physical systems with feedback loops and partial observability. This paper introduces a novel framework inspired by statistical mechanics that instead models variable dependencies through an undirected, energy-based representation of cyber-physical IoT systems. Our approach enables rigorous dependency-aware attribution by analysing how variations in the energy landscape reflect the influence of individual components, without recovering a directed causal graph. It also supports reasoning about perturbation effects across hybrid interactions, providing reliable explanations of abnormal behaviours. We empirically examined our framework through simulations on an industrial IoT testbed with hybrid continuous and discrete variables, demonstrating higher attribution accuracy, improved robustness and better scalability than state-of-the-art graph-based approaches. While the attributions are not intended to fully recover the system's generative dynamics, they provide valuable, dependency-aware explanations supporting both human interpretation and downstream predictive and diagnostic tasks. Although demonstrated in industrial IoT security, our framework also applies to other high-dimensional cyber-physical and socio-technical systems requiring principled, structural explanations.

Model merging aims to combine existing single-task solutions into a multi-task solution without additional data-driven fine-tuning.~Most existing approaches achieve this using geometric properties of local solution spaces. However, such geometric views provide limited guidance for scoring how statistically useful each task-specific update direction is across tasks during merging. To address this, we formulate model merging from a new perspective of probabilistic inference under a product-of-experts (PoE) scenario where each single-task solution defines an energy-based expert model (EBM) over the merged parameters. We show that several existing model merging methods arise as special cases of our framework under energy designs that impose implicit Gaussian assumptions on directional residuals between merged and task-specific models. Empirically, we find that these residuals are often heavy-tailed which exposes a mismatch with the imposed light-tailed Gaussian structures. We address this with a heavy-tailed PoE design based on Cauchy experts, which better captures the observed residual behavior while admitting a provably convergent inference procedure. Experiments across multiple tasks and architectures show significant improvements over state-of-the-arts baselines. Our code is available at https://github.com/MinhLong210/PoE-EBM-Merging.git.

We introduce a data-driven probabilistic framework for learning systems based on Gibbs measures on hierarchical structures. Unlike standard empirical risk minimization, where a dataset is used to identify a single optimal parameter, our approach transforms the empirical loss function into an interaction potential defining an energy-based model. The resulting Gibbs distribution describes a family of equilibrium learning states generated by the data. We formulate the consistency conditions of the associated finite-volume distributions and derive nonlinear integral fixed-point equations whose solutions characterize the admissible learning states. These equations provide a rigorous connection between empirical loss landscapes and probabilistic inference on trees. For translation-invariant solutions, the problem reduces to the analysis of positive compact operators induced by data-dependent kernels, allowing us to establish existence and uniqueness conditions in the one-dimensional setting. Furthermore, we show that hierarchical learning systems may exhibit phase-transition phenomena: for certain empirical kernels on Cayley trees, multiple Gibbs measures emerge beyond a critical inverse temperature, corresponding to distinct equilibrium prediction regimes. Numerical experiments with non-separable kernels illustrate the appearance of multiple solution branches and demonstrate the coexistence of several data-induced learning states. Our results provide a new perspective on energy-based learning, where data do not merely determine an optimal model through minimization but define an entire probabilistic landscape of possible inference states.

Warm-started diffusion samplers accelerate iterative inference, but it is rarely clear which part of the pipeline carries the gain. We study retrieval-warmed energy-based reasoning (RW-EBR) -- an IRED energy-based diffusion model \cite{du2024ired} augmented with a Modern Hopfield trajectory memory -- and contribute a five-arm ablation methodology (oracle, best-constant, per-query-random, shuffled, aligned) that separates three confounded effects: class-prior bias shift, stochastic warm-starting, and graph-aligned value reuse. The diagnostic decomposition is adapted from LLM-RAG evaluation \cite{ru2024ragchecker}. On connectivity-2 (Erdős--Rényi all-pairs reachability), the aligned-vs-shuffled-oracle swing reaches \textbf{$+35$,pp} balanced accuracy on a fixed 1{,}000-graph validation-set diagnostic, with value distribution and retrieval mechanics fixed, only per-graph alignment destroyed, while per-query random initialisation falls below cold -- per-graph alignment, not bias shift or stochasticity, dominates. Yet the deployable cold-prediction pipeline misses the acceptance gate at stored-value quality. The same diagnostic logic, stopped at the key-quality screen, applied to Sudoku with a task-specific key encoder produces a clean negative at a different component -- key quality, under the current setup. The decomposition names the first blocking component on each task. The setting -- graph reachability refined by an iterative diffusion sampler, with explainability of failure modes as the lens -- places the work within structured and spatio-temporal reasoning.

Field-scale retrieval of surface soil moisture (SM), leaf area index (LAI), and plant height (PH) is essential for precision agriculture, yet it remains an ill-posed inverse problem. Concurrent variations in soil moisture and canopy density generate substantial ambiguities in radar backscatter and spectral responses, which reduces the effectiveness of traditional feedforward regression models in heterogeneous smallholder cropping systems. This study presents the Iterative Energy-Based Transformer (iEBT) for the joint retrieval of coupled soil-canopy states from Sentinel-1 C-band SAR and Sentinel-2 multispectral time series. Instead of direct regression, iEBT embeds multi-modal predictors within a shared sequence, produces an initial state estimate, and iteratively updates the target [SM, LAI, PH] vector through normalized gradient descent to minimize a learned scalar compatibility energy function. Using 700 quality-controlled field measurements from Varanasi, India, iEBT achieved the highest learned-model performance on the random test split, with a four-seed mean R^2 of 0.854 \pm 0.012 (R_SM^2 = 0.841, R_LAI^2 = 0.905, R_PH^2 = 0.821). WCM and PROSAIL were retained as physically interpretable SAR and optical reference models for comparison. Modality ablations confirmed that Sentinel-1 drives SM retrieval, while Sentinel-2 dominates LAI, whereas PH relies on combined structural-phenological signatures. Crucially, the model's terminal energy functions as an uncalibrated post-retrieval quality diagnostic; screening the 10% highest-energy samples markedly reduced target level root-mean-square errors. While leave-one-campaign-out validation highlights persistent cross-season domain shift challenges due to localized management variations, compatibility-guided multimodal fusion offers a structured self-diagnostic path toward reliable biophysical parameter estimation

Transformer language models have become established tools for modeling human sentence processing, with measures such as surprisal and attention entropy serving as effective predictors of reading difficulty that together capture complementary aspects of processing load. Here, we explore a related class of transformer models: energy-based transformers, which provide a principled formal link to associative memory models, bringing processing research into direct contact with the broader literature on Hopfield networks and dense associative memory. To our knowledge, this is the first exploration of an energy-based transformer measure in computational psycholinguistics. Across reading-time corpora (Natural Stories, UCL eye-tracking, UCL self-paced reading), the energy measure is a robust predictor of reading times, providing significant fit beyond surprisal and entropy in all three. In a controlled experiment on relative clause processing, energy at a single layer captures the well-known object/subject asymmetry. We find evidence that it subsumes effects attributable to both attention entropy and surprisal, suggesting that energy may serve as a single unified predictor where multiple complementary measures have previously been required.

When a bacterial sample is exposed to several antibiotics, not every applied drug necessarily acts: if the organism is resistant to one of them, that drug leaves no morphological trace. The clinically meaningful quantity is therefore not which antibiotics were applied, but which ones were active. We show that these two are sharply decoupled in real E. coli microscopy - naively assuming the applied combination equals the active one is correct only about 37% of the time - yet existing computational tools are ill-suited to recovering the active set. Forward perturbation models such as scGen, CPA, and IMPA are designed to predict appearance from treatment, not the reverse, and inverting them degrades sharply; discriminative image classifiers tend to memorise strain- and batch-specific texture and fail to transfer across experimental replicates. We introduce AURA, which reframes the task as constrained, energy-based inverse attribution. Its central inductive bias is that the active set must be a subset of the applied set; this collapses the candidate space and lets AURA infer the active subset of applied antibiotics by decomposing residual morphology into antibiotic response atoms and selecting the subset with the lowest reconstruction energy, using no strain label at test time. AURA-E adds evidence-aware abstention, withholding a prediction when candidate explanations remain near-equally plausible. On cross-replicate transfer in an E. coli cytological profiling dataset, AURA recovers the active antibiotic combination with 95.47% exact-match accuracy.

Transformer architectures have dramatically advanced representation learning and inference in deep models through self-attention mechanisms. In parallel,associative memory (AM) frameworks map representations onto energy landscapes, offering interpretable retrieval mechanisms. However, their continuous-time inference dynamics lack the biological plausibility of classical Continuous Attractor Neural Networks (CANNs). To bridge this gap, we propose Controlled Dynamics Attractor Transformer (CDAT), which couples a mixture von Mises-Fisher (Mo-vMF) attention energy with a Hopfield refinement energy, while augmenting energy descent with a CANN-inspired excitation-inhibition modulation. CDAT instantiates a topology-constrained dynamical system whose couplings encode relational structure among tokens, thereby linking attractor-style dynamics to modern energy-based attention. We further provide a constructive dissipation analysis to formally establish their controlled inference dynamics. Benefiting from these robust and structured dynamics, CDAT achieves state-of-the-art performance across multiple benchmarks in graph anomaly detection and graph classification.

Text-attributed Graphs (TAGs) incorporate textual node attributes with graph structures to describe rich relational semantics. Recent efforts to integrate Graph Neural Networks (GNNs) and Large Language Models (LLMs) have shown promise for learning on TAGs, yet achieving well-aligned representations remains challenging. Prior studies largely rely on heuristics that perform coarse-grained matching. They lack sufficient constraints and ignore distributional alignment, leading to representation drift and limited generalization. Building on Energy-based Models (EBMs), we propose an Energy-based Representation Alignment (ERAlign) framework that projects GNN-encoded graph structure and LLM-derived text embeddings in a shared latent space to achieve distribution consistency. Concretely, layer-wise alignment is quantified by a distance metric and optimized via an EBM objective. By decreasing energy values, our framework yields well-aligned representations for downstream tasks. During training, we introduce Energy Discrepancy (ED) to avoid high sampling costs associated with intractable normalization. ED also carries theoretical guarantees of higher training efficiency and reduced energy landscape distortion. Empirical evaluations on eight TAG datasets demonstrate that ERAlign obtains state-of-the-art performance across varying levels of supervision and cross-task transfer scenarios.

Diffusion Language Models (DLMs) enable parallel text generation by iteratively denoising a full sequence, offering attractive flexibility compared to auto-regressive (AR) decoding. However, existing methods fail to fully capture token relationships, leading to a performance gap relative to AR baselines, especially as the degree of parallelism increases. In this paper, we give a systematic analysis of the gap, identifying three key factors: (i) model capacity, (ii) dependency, and (iii) invariance. To address these issues, we first propose an invariant energy (Inv-E) together with an effective sampling-based estimator to handle the invariance issue. By further combining with the independent energy (Ind-E), we obtain a unified energy (Uni-E), that accounts for all these factors. Uni-E enjoys a unique advantage: it can be computed exactly without sampling-based partition estimation. Besides, Uni-E is model agnostic and can therefore be scaled to models of arbitrary size. We further prove that Uni-E can correct the distribution shift caused by dependency and invariance. Extensive experiments across Diffusion Language Models (DLMs) and Diffusion Large Language Models (DLLMs) demonstrate the effectiveness of the proposed Uni-E.

While Ising machines serve as advanced physical solvers for the Ising model,enabling applications in combinatorial optimization and neural network training,their scalability for large-scale neural networks remains constrained by hardware connectivity limitations and suboptimal training methodologies. In this work,we leverage a Coherent Ising Machine (CIM) to train an energy-based neural network using Equilibrium Propagation, achieving performance comparable to existing software-based implementations. We further enhance the algorithm by integrating the Adam optimizer to solve for the ground state of a Hopfield energy network, significantly improving convergence speed and solution accuracy. Additionally, we demonstrate the scalability of our approach across deeper network architectures and convolutional operations. Our results highlight the potential of CIM dynamics as a scalable platform for training complex neural networks, offering a pathway toward energy-efficient implementations via analog circuits, optoelectronics, or integrated photonics. This work establishes a novel physical framework for next-generation AI hardware development.

The rapid evolution of artificial intelligence has led to substantial advances in deep neural networks. Nonetheless, conventional GPU-based training remains highly energy-demanding, motivating the exploration of physical dynamics and compatible energy-based learning schemes, such as equilibrium propagation (EP). EP-based training, however, frequently suffers from convergence to local minima due to phase-space contraction. Here we introduce an Ising-dynamics-inspired equilibrium-propagation framework in which dissipative Hopfield relaxation is replaced by an extended phase-space dynamics with conjugate variables. The resulting training paradigm keeps the local two-phase learning rule of EP while changing the physical route by which neural states reach equilibrium. We show that this dynamics lowers effective energy barriers, accelerates convergence, improves noise robustness, and trains deep convolutional Hopfield networks on MNIST, FashionMNIST, and CIFAR-10 with performance comparable to backpropagation.

Equilibrium Propagation (EP) is a physics-based training framework that has primarily been employed in energy-based models, including continuous Hopfield networks, nonlinear resistive networks and coupled phase oscillators. However, EP's practical applications have so far remained limited to relatively small-scale problems. Predictive coding networks (PCNs), another class of energy-based models rooted in computational neuroscience, are typically trained with a specialized algorithm and have likewise not yet been demonstrated at large scale. In this work, we develop an EP-based training method for PCNs which combines the centered variant of EP with a novel equilibration scheme for PCNs. Using this approach, we train a 10-layer convolutional PCN (VGG10) on full-size ImageNet, achieving 13.23% test error rate on the top-5 classification task, close to the 12.2% backpropagation baseline. To our knowledge, this is the first demonstration of both PCNs and EP-based training at ImageNet scale. These results significantly extend the scalability of both approaches and suggest that the primary challenges in scaling EP in other physical systems may come more from the computational properties of these systems than from inherent limitations of the EP framework.

Learning an energy-based model from data samples is a central problem in machine learning. Many recent and popular methods, such as denoising score matching for training energy-based diffusion models, use stochastic interpolants to corrupt data samples at different noise levels indexed by a time variable. This defines a joint density over both the data space and time, and most methods learn its energy through either spatial or temporal differences. We identify distinct failure modes for both of these approaches. To solve them, we propose Spatiotemporal Noise-Contrastive Estimation (stNCE), a framework for learning the energy through joint spatiotemporal differences. stNCE unifies many existing methods and leads to new training objectives. Experiments on images and molecules demonstrate performance competitive with state-of-the-art density estimation methods.

A central question in computational vision is whether human-like visual representations are better explained by discriminative or generative learning. Existing comparisons, however, often confound the learning objective with architecture, scale, and training data, leaving open whether the objective itself drives alignment. We address this confound using Joint Energy-Based Models (JEMs), which interpolate continuously between discriminative and generative training within a fixed architecture. By varying a single mixing coefficient, we isolate the effect of the learning objective and evaluate the resulting models across six human-alignment benchmarks spanning perceptual similarity, gloss perception, human response uncertainty, robustness, shape-texture cue conflict, and diagnostic feature attribution. Across this diverse suite, human alignment is consistently maximized at intermediate points of the generative-discriminative continuum, rather than at either endpoint. Hybrid JEMs combine the categorical structure induced by discriminative learning with the sensitivity to input structure induced by generative learning, yielding more human-like behavior across multiple levels of vision. These results suggest that the generative-discriminative dichotomy is the wrong axis for understanding human-aligned vision: alignment emerges not from choosing one objective over the other, but from balancing both.

Compositional energy-based models can generalize to larger combinatorial reasoning problems by reusing a learned factor energy across many local constraints. In our paper, we show that a key bottleneck in compositional reasoning is not composition itself, but the non-convex geometry of the learned energy landscape. To solve this problem, we introduce Convex Compositional Energy Minimization (CCEM), a framework that parameterizes each factor with an input-convex neural network and optimizes the composed energy over a tight convex relaxation of the feasible set. Because convexity is preserved under summation, the global relaxed objective remains convex, enabling deterministic projected first-order optimization. CCEM is trained in two stages: factor-level contrastive learning to shape local energy basins, followed by end-to-end refinement through an unrolled projected solver. Our experiments show that our models trained on small subproblems or a single problem size transfer to larger instances without retraining.

In this work, we extend the Equilibrium Propagation framework to skew-gradient systems and show an equivalence between deep Energy-Based Models and Hamiltonian neural networks. We focus on networks of diffusively coupled Fitzhugh-Nagumo neurons as a prototypical example. We show that since stationary solutions of the Fitzhugh-Nagumo model are described by self-adjoint operators, the methods of equilibrium propagation for performing credit assignment can be applied. Furthermore, for Fitzhugh-Nagumo networks with the topology of a deep residual network, we show that the steady state solutions admit a (spatial) Hamiltonian, and thus the methods of Hamiltonian Echo Backpropagation can be applied. We end by deriving an explicit layer-wise Hamiltonian recurrence relation governing inference for stationary solutions of both deep Fitzhugh-Nagumo networks and deep Energy-Based Models.

Molecules in equilibrium follow a Boltzmann distribution, making the underlying energy landscape a physically grounded modeling objective. However, such landscapes are difficult to learn from data and, once learned, hard to sample from. Diffusion and flow-matching models sidestep these difficulties by learning a time-conditional score or transport field between noise and data, losing the energy inductive bias in exchange for a more tractable training objective. We introduce EBMol, an energy-based model (EBM) that restores this inductive bias by learning an atom-additive scalar potential without explicit simulation during training. Our method employs a flow-inspired Restoring Field Matching objective to approximate the energy landscape. We adopt the Mirror-Langevin algorithm for sampling, enabling unified updates of atomic positions and types, and incorporate parallel tempering for inference-time compute scaling. EBMol is the first EBM for 3D molecular generation to achieve state-of-the-art performance on QM9 and GEOM-Drugs. Moreover, we show that the learned energy landscape serves as a principled quality metric for ranking and filtering configurations, and demonstrate controllable generation without retraining through shape-steered sampling via potential composition and zero-shot linker design.

When Large Language Models produce structured outputs such as travel plans, code solutions, or multi-step proofs, individual reasoning steps may appear correct while the output as a whole violates budgets, fails test cases, or contradicts earlier deductions. We propose a decomposed energy function that combines a learned quality scorer with deterministic analytical constraint penalties for verifying structured LLM outputs. The quality scorer is a heterogeneous ensemble of low-rank adapters on a single frozen encoder (3% trainable parameters); the ensemble mean ranks candidates while the standard deviation quantifies epistemic uncertainty, driving a two-pass inference loop that triggers targeted regeneration or abstention. Across five benchmarks (GSM8K, MuSR, TravelPlanner, TACO, Knights & Knaves), our 149M-parameter verifier orchestrating a pool of 7-26B open generators outperforms single-shot Qwen-72B on every benchmark, matches Claude Sonnet 4.6 on MuSR (67.7% vs. 68.0%), and reduces constraint violations by 53% relative to Opus 4.6 on TravelPlanner (oracle 0.028, random 0.231). The two routes are complementary: structural verification wins when constraints are checkable (the verifier captures signal frontier models cannot self-detect), while pretraining-scale priors win where they are not (narrative inference, code semantics). A cross-dataset confounding analysis confirms genuine quality discrimination on four reasoning tasks and identifies a model-identity shortcut on code, mitigated via last-layer retraining. Scorers trained on difficult data transfer zero-shot: a MuSR-trained scorer achieves 93.9% on GSM8K without seeing a math problem.

Generative diffusion models can provide powerful prior probability models for inverse problems in imaging, but existing implementations suffer from two key limitations: $(i)$ the prior density is represented implicitly, and $(ii)$ they rely on likelihood approximations that introduce sampling biases. We address these challenges by introducing a new energy-based model trained for denoising with a covariance-based regularization term that enforces consistency across different measurement conditions. The trained model can compute normalized posterior densities for diverse linear inverse problems, without additional retraining or fine tuning. In addition to preserving the sampling capabilities of diffusion models, this enables previously unavailable capabilities: energy-guided adaptive sampling that adjusts schedules on-the-fly, unbiased Metropolis-Hastings correction steps, and blind estimation of the degradation operator via Bayes rule. We validate the method on multiple datasets (ImageNet, CelebA, AFHQ) and tasks (inpainting, deblurring), demonstrating competitive or superior performance to established baselines.

We introduce the Free Energy Manifold (FEM), a score-trained conditional energy model specialized for inference in hybrid Bayesian networks with discrete and continuous variables. FEM represents each conditional factor as an energy landscape over learned discrete-parent embeddings and continuous observations, enabling posterior evaluation, generative sampling, and compositional inference across multiple continuous leaves by energy addition under conditional independence. A central finding is the mode-bridge artifact: standard conditional energy models can create low-energy ridges between separated modes of the same class, producing overconfident posteriors at off-data interior points. We analyze this failure and propose valley regularization, an off-data calibration term that restores near-uniform posteriors in such regions while preserving in-data fit. Across synthetic multimodal hybrid-BN benchmarks, FEM substantially reduces KL divergence relative to classical baselines and a vanilla conditional EBM, including large gains at mode-bridge midpoint queries and in multi-leaf evidence composition. We also evaluate high-cardinality discrete-parent settings and a UCI Breast Cancer sanity check, showing that FEM is most useful when multimodal or compositional Bayesian-network inference is required, while discriminative classifiers remain preferable for closed-world classification tasks.

Density estimation is a central primitive in probabilistic modeling, yet continuous, discrete, and mixed-variable domains are often treated by separate objectives, limiting the ability to exploit a common statistical structure across data types. Continuous score-based methods rely on log-density gradients, while discrete extensions typically use concrete score whose unbounded targets become unstable near low-probability states. We introduce Constant-Target Energy Matching (CTEM), a unified energy-based framework for density estimation on general state spaces. CTEM replaces ordinary density-ratio regression with a bounded energy-difference transform and derives from it a sample-only training objective with the constant target 1. The learned scalar potential recovers log p without partition-function estimation or explicit unbounded ratio regression. Across continuous, discrete, and mixed-variable benchmarks, CTEM substantially improves density estimation over competitive baselines and yields higher-quality samples under standard sampling procedures.

Energy-based models (EBMs) are flexible generative architectures inspired by statistical physics, but their learning and generative properties remain poorly understood. Here, we analyze a solvable EBM in the high-dimensional limit: the spherical Boltzmann machine (SBM). Combining tools from random matrix theory and dynamical mean-field theory, we: solve exact equations describing the training dynamics of the SBM; compute the Bayesian evidence, which acts as a partition function in parameter space and encodes global properties of the trained model; and uncover cascades of phase transitions that occur both during training and as a function of hyperparameters, related to successive alignment and condensation of the top modes of the coupling matrix to the data. We connect these transitions to sampling-time generative phenomena in a teacher-student scenario, including: sampling temperature tuning, double descent as a function of regularization strength, tempered posterior effects, and out-of-equilibrium effects during training that induce biases in the trained model. We provide numerical evidence demonstrating that all these phenomena appear in standard generative architectures, beyond the SBM.

Energy-based models (EBMs) provide a powerful and flexible way of learning a joint probability distribution over data by constructing an energy surface. This energy surface enables insight extraction and conditional sampling. We apply EBMs to laboratory plasma physics, a domain characterized by highly nonlinear phenomena. These phenomena are studied using plasma diagnostics, which are often difficult to analyze and subject to hardware degradation. In addition, the possible configuration space of a plasma device is sufficiently large that it cannot be efficiently searched using conventional analysis techniques. EBMs address these issues. At the Large Plasma Device (LAPD), a CNN- and attention-based EBM is trained on a set of randomly generated machine conditions and their corresponding diagnostic time series. We demonstrate diagnostic reconstruction using this EBM on real data and show that additional diagnostics improves reconstruction error and generation quality. The energy surface is directly evaluated for an ill-posed inverse problem: inferring probe position from a time-series measurement. This inference illuminates symmetries in the data, potentially leading to a method of inquiry to supplement conventional data analysis. Trends in diagnostic signals are inferred via conditional sampling over machine inputs. In addition, this multimodal EBM is able to unconditionally reproduce all distributional modes, suggesting future potential in anomaly detection on the LAPD. Fundamentally, this work demonstrates the flexibility and efficacy of EBM-based generative modeling of laboratory plasma data, and showcases multiple practical uses of just a single trained EBM in the physical sciences.

Energy-based learning is a powerful framework for generative modelling, but its training is inherently non-convex, leading potentially to sensitivity to initialisation, poor local optima, and unstable gradient dynamics. We present a dynamical analysis of energy-based learning through the lens of the effective model, which can be interpreted as either a generalised Ising model with higher-order interactions or the Fourier expansion of the energy. Under sufficient expressivity, we show that the gradient flow induced by learning strictly positive distributions over binary variables admits two types of fixed points: data-consistent points, which exactly reproduce the target distribution, and spurious points, which satisfy stationarity without matching the target distribution. Around data-consistent points, we show that perturbations are either stable or neutral, with neutral directions leaving the effective model invariant. Finally, we show that gradient dynamics induce a hierarchy in which lower-order interactions are learned before higher-order ones. This provides a mechanistic explanation for the distributional simplicity bias and clarifies why fixed points that are not data-consistent at low orders are not observed in practice.

Transformer blocks typically combine multi-head attention (MHA) for token mixing with gated MLPs for token-wise feature transformation, yet many choices in their parameterization remain largely empirical. We introduce Causal Energy Minimization (CEM), a framework that recasts Transformer layers as optimization steps on conditional energy functions while explicitly accounting for layer parameterization. Extending prior energy-based interpretations of attention, CEM shows that weight-tied MHA can be derived as a gradient update on an interaction energy, and that a gated MLP with shared up/down projections can be viewed through an element-wise energy. This perspective identifies a design space for Transformer layers that includes within-layer weight sharing, diagonal-plus-low-rank interactions, lightweight preconditioners, and recursive updates. We evaluate CEM-derived layers in language-modeling experiments at the moderate hundred-million-parameter scale. Despite their constrained parameterizations, these layers train stably and can match corresponding Transformer baselines. Overall, our results suggest that CEM provides a useful lens for understanding Transformer layer parameterization, connecting Transformer architectures to energy-based models and motivating further exploration of energy-guided layer designs.

Marketing decisions reflect the interaction of latent consumer heterogeneity, time-varying internal states, and explicit interventions, a structure that current prediction- and language-oriented models do not capture in a unified manner. We propose a Three-in-One world-model architecture in which a Deep Boltzmann Machine (DBM) learns a frozen belief representation from demographics, time, and lagged actions and outcomes, with lightweight task-specific adapters attached on top. The same belief supports three tasks within a single framework: (i) energy-based consistency evaluation through the DBM's free energy, (ii) outcome prediction through adapters, and (iii) counterfactual inference by holding the belief fixed and varying only the action input given to the adapter. Using a controlled simulation in which the latent price sensitivity, promotion responsiveness, and base preference of each consumer are known, we show that the adapters match a strong MLP baseline on visit- and purchase-AUC while recovering heterogeneous treatment effects substantially better than S-, T-, X-, and DR-learner meta-learners and a Causal Forest baseline built on the same raw features, with the largest gap on a confounded price-promotion intervention. Complementing this, free-energy clamps systematically penalize counterfactual purchase trajectories that lack prior promotional exposure, and the penalty itself depends on the latent base preference in the expected direction. These results indicate that DBM beliefs disentangle latent traits in a form that survives counterfactual queries, providing an integrated world-model substrate for marketing intervention.