Variational

Neural PDE solvers provide efficient surrogates for time-dependent physical systems, but autoregressive prediction over long horizons remains challenging because local errors can induce distribution shift and accumulate under recursive deployment. We develop a variational approach to this problem by introducing latent Markov dynamics in which physical states are represented by latent distributions and evolved through probabilistic transitions. The framework is formulated directly on function spaces and specialized to functional Gaussian models, where structured latent perturbations induce a spectral geometry and variational transition alignment regularizes the learned dynamics. We further analyze how these mechanisms affect autoregressive error propagation, providing a theoretical connection between variational training and long-horizon prediction. We instantiate the framework as the Variational Autoencoding Markov Operator (VAMO), which combines spatially resolved latent fields, structured Gaussian perturbations, and a neural-operator transition. Empirically, we demonstrate the effectiveness of VAMO on several fluid-dynamics benchmarks with prediction horizons extending substantially beyond those represented during training, where it consistently reduces error accumulation and improves rollout stability over several deterministic and noise-injection baselines. Overall, these results highlight variational modeling as a complementary approach to robust long-horizon neural PDE dynamics.

Training data constrains optimizer geometry through the covectors visible to a declared information channel. We study how such partial information determines a full positive cometric relative to a reference and which degrees of freedom remain unidentified. Our central result resolves full-column-rank positive-definite compression under affine-invariant Riemannian geometry. The compression map is a split-Hadamard metric submetry and admits an explicit unique completion that is the affine-invariant nearest full geometry realizing a visible target and yields exact full-to-visible variational reduction. When the channel moves, the completions form a gauge-invariant rank stratification of the positive-definite cone. Its closed-form pullback pair metric separates visible-metric motion from subspace rotation through a reference-mismatch weight, yields an explicit positive-semidefinite multi-direction Gram matrix, and exposes the precise singularity of reference-valued modes. The mechanism is explained by a metric theorem equating ball submetry, attained fiber distance, and lossless reduction of every monotone radial visible decision problem. A smooth split-Hadamard theorem supplies coherent information sheets, proximal commutation, and solution-wise gradient-flow lifting. The positive-definite realization also gives closed-form prior-data shrinkage. Diagonal and block optimizer families reduce to relative-interior conic image tests with valid facial certificates, while deterministic and finite-sample bounds quantify recovery of the visible geometry and its subspace. Together these results characterize exact reduction, reference-dependent completion, and structured expressivity for the stated finite-dimensional affine-invariant model.

Flow matching approaches to imaging inverse problems commonly incorporate measurements in two ways. Conditioning-based approaches supply measurement-derived information as a network input, often through concatenation, while inference-guided approaches combine an unconditional velocity field with a separate data-consistency update. In these common formulations, the forward model is not explicitly enforced within the learned conditional velocity field. We propose a principled parametrization of the measurement-conditional velocity field to solve inverse problems. Under linear interpolation, we express the conditional velocity $v(x_t,t,y)$ in terms of the posterior mean $E[x_1 | x_t,y]$, and characterize that mean as the unique minimizer of a variational objective whose data-consistency term is explicit. We further prove that the velocity field defines a probability flow from the source distribution to the measurement-conditioned posterior. Splitting the variational objective yields a conditional velocity parameterization with operator-dependent data-consistency updates, which we train end-to-end under the flow-matching objective, with no additional guidance at inference. Our method achieves state-of-the-art PSNR with $50\times$ fewer function evaluations than the strongest flow baseline. Varying the sampling steps provides test-time control over the distortion-perception trade-off without retraining.

Vision-language models such as CLIP embed images and text in a shared space, where modality-specific distributions often remain separated. Existing accounts connect this modality gap to initialization, contrastive dynamics, and information imbalance, while its distributional and pairwise contributions to retrieval remain unresolved. We introduce UOT-Gap, a training-free variational diagnostic that models frozen image and text embeddings with unbalanced entropic optimal transport (UOT). The UOT optimum separates transport, coupling complexity, and marginal mass variation; a complementary pair-aware residual compares observed image-caption pairs with the UOT soft matching. On Flickr8K and COCO-1K with frozen CLIP, OpenCLIP, and SigLIP encoders, caption degradation reduces Flickr8K Recall@1 from 0.559 to 0.003. Across six dataset-model conditions, the pair-aware residual tracks retrieval degradation with mean absolute Spearman 0.973, compared with 0.392 for the mean gap. The association remains stable across five random COCO-1K subsets at $0.954\pm0.026$, with a minimum of 0.943. UOT barycentric updates reduce the transport objective while degrading retrieval, distinguishing geometric objective descent from task improvement. These results establish UOT-Gap as a diagnostic for caption quality, modality alignment, and retrieval robustness.

Multidimensional item response theory (MIRT) is a statistical test theory that precisely estimates multiple latent skills of learners from the responses in a test. Both compensatory and non-compensatory models have been proposed for MIRT: the former assumes that each skill can complement other skills, whereas the latter assumes they cannot. This non-compensatory assumption is convincing in many tests that measure multiple skills; therefore, applying non-compensatory models to such data is crucial for achieving unbiased and accurate estimation. In contrast to tests, latent skills will change over time in daily learning. To monitor the growth of skills, dynamical extensions of MIRT models have been investigated. However, most of them assumed compensatory models, and a model that can reproduce continuous latent states of skills under the non-compensatory assumption has not been proposed thus far. To enable accurate skill tracing under the non-compensatory assumption, we propose a dynamical extension of non-compensatory MIRT models by combining a linear dynamical system and a non-compensatory model. This results in a complicated posterior of skills, which we approximate with a Gaussian distribution by minimizing the Kullback-Leibler divergence between the approximated posterior and the true posterior. The learning algorithm for the model parameters is derived through Monte Carlo expectation maximization. Simulation studies verify that the proposed method is able to reproduce latent skills accurately, whereas the dynamical compensatory model suffers from significant underestimation errors. Furthermore, experiments on an actual data set demonstrate that our dynamical non-compensatory model can infer practical skill tracing and clarify differences in skill tracing between non-compensatory and compensatory models.

Counterfactual explanations formalize "what-if" scenarios by identifying modifications to an input instance that obtain a desired alternative prediction. Traditionally, whether generated via instance-specific optimization or amortized single pass models, these approaches rely on a single, deterministic point-estimate predictor. However, this ignores predictive uncertainty and hypothesis variability, leading to brittle explanations that frequently become invalid if the underlying model is retrained or updated. To address this fragility, we propose the Amortized Variational Counterfactual Generator (AVCG), a generalized optimization framework that formulates counterfactual generation as optimization over an arbitrary distribution of plausible predictive hypotheses rather than a single deterministic predictor. This formulation naturally accommodates Bayesian posteriors, Rashomon-restricted hypothesis spaces, and other uncertainty representations within a unified optimization framework. Evaluation across multiple benchmark datasets demonstrates that the AVCG framework produces counterfactual explanations that remain highly valid under predictive uncertainty and model changes, while maintaining competitive plausibility and single-pass runtime performance.

Production agent harnesses such as Claude Code and Qwen-Agent compress context during rollout, but training under compression creates a conditioning problem: every eviction branches the effective history, so the learning object is a tree rather than a sequence. Existing linearizations either retain the rightmost path, causing time-travel leakage, or replay a depth-first traversal, causing train-inference mismatch. We introduce two exact, gradient-equivalent corrections: LogitTree, a segmented K-forward traversal, and a packed 4D attention mask. LogitTree requires K+1 backward passes; the 4D mask requires a custom kernel and white-box eviction records. We also propose SDCC (Self-Distillation for Conditioning Consistency), a single-backward-pass variational relaxation. At each eviction, it minimizes forward KL between the compressed student and a stop-gradient teacher on the reconstructed pre-eviction prefix. A residual per-junction KL of epsilon_KL gives an O(sqrt(epsilon_KL)) bound on the train-deployment total-variation gap. SDCC also applies to black-box harnesses. On seven web-search benchmarks with TC-RAG, AgentFold, MemexRL, Claude Code, and OpenCode, naive training inflates the train-rollout log-probability gap, especially on eviction-heavy batches. The exact methods stay at the no-compression floor, and SDCC substantially closes the gap, with lower logit drift and higher rollout rewards.

PAC-Bayes theory provides generalization guarantees by controlling the Kullback--Leibler (KL) divergence between posterior and prior distributions over a chosen hypothesis representation. However, predictive risk depends only on the predictive behavior induced by a hypothesis, not on the particular internal realization that implements that behavior. In over-parameterized systems, many distinct configurations induce identical predictive behavior, yet the classical PAC-Bayes KL divergence does not distinguish uncertainty over predictive behavior from variation among behaviorally equivalent realizations. We show that this distinction induces an exact structural decomposition of classical PAC-Bayes complexity. We formalize behavioral equivalence through a measurable behavior map and use measure disintegration to decompose probability measures on the configuration space into a distribution over predictive behaviors and conditional distributions over behavioral fibers. This yields an exact decomposition of the classical PAC-Bayes KL divergence into a behavior-selection term and a realization-level term given by an expected conditional KL within fibers. We define Z-information as the negative of this realization-level contribution: the exact gap between the KL divergence and the complexity of uncertainty over predictive behavior alone. We further show that the behavior-selection term admits an exact variational characterization: it is the minimum KL divergence among all posteriors inducing the same distribution over predictive behaviors, attained by a canonical fiber-symmetrized representative. Finally, we show that symmetry, behavior-preserving directions, fiber geometry, and invariance under fiber-preserving perturbations arise naturally from the same behavior-map structure. Together, these results identify predictive behavior as the natural object of PAC-Bayes complexity.

We propose a deep learning framework for image restoration from images degraded by both multiplicative Gamma noise and blur. Unlike conventional deep equilibrium (DEQ) models that rely on implicit neural regularization, the proposed method learns an explicit and interpretable regularizer parameterized by geometric priors associated with surface area and mean curvature. To minimize the resulting variational model, we develop a mirror descent algorithm tailored to the commonly used Gamma-noise fidelity terms. Leveraging the Kurdyka-Lojasiewicz property for functions defined in $o$-minimal structures, we establish the global convergence of the generated iterates to a critical point. Experimental results on both grayscale and color image restoration demonstrate that the proposed method consistently outperforms representative model-based approaches while achieving performance comparable to state-of-the-art DEQ models based on implicit regularization, despite requiring substantially fewer trainable parameters.

We introduce a variational approach to a finite-temperature continuous-spin perceptron trained on a Gaussian mixture. The model allows for a broad class of concave utilities and log-concave separable prior measures on the spins. By combining the interpolation method with log-concavity and concentration estimates, we derive lower and upper minimax variational bounds for the limiting quenched pressure. Remarkably, the two bounds differ only in the order of optimization of two variational parameters, while all remaining extrema are controlled by the concave--convex structure of the variational potential. Whenever the two optimizations commute, the two bounds match and identify the solution of the model. The same potential yields the fixed-point equations as stationarity conditions and provides a unified route to the computation of the ground-state energy, training loss, and generalization error.

Modeling shared and subject-specific structure in multisubject spatiotemporal data remains challenging, particularly in neuroimaging, where both spatial and temporal patterns exhibit rich variability across subjects. Existing matrix and tensor decompositions provide interpretable factorizations, but rely on fixed multilinear structures or coupling schemes that may limit their flexibility in capturing complex variability. In this work, we introduce a spatiotemporal variational tensor decomposition (ST-VTD) framework that combines a tensor factorization generative model with structured priors to jointly represent spatial maps and temporal dynamics. Spatial factors are regularized to promote a low-rank structure inspired by the LL1 decomposition, while temporal factors are modeled using a learned Long short-term memory (LSTM)-based prior, enabling flexible and adaptive dynamics. Posterior inference is performed using an amortized variational formulation by unrolling iterations of an optimization algorithm, leading to an interpretable and parameter-efficient architecture. The proposed inference framework employs a warm-start strategy based on group independent component analysis, which we found to improve optimization performance. Experiments on a realistic synthetic functional MRI (fMRI) dataset demonstrate that the proposed approach significantly improves latent factor recovery compared with representative classical and probabilistic decomposition benchmarks.

Segmentation of adjacent structures with similar intensity distributions remains a challenging problem in image analysis, particularly when object boundaries are weak or ambiguous. Under such conditions, classical variational models may suffer from degenerated image-driven forces, leading to boundary leakage or undesired merging of neighboring regions. To address these limitations, we propose a smooth phase-separation variational model based on the Cahn--Hilliard equation for weak-boundary segmentation of homogeneous-appearance structures. The proposed framework integrates softmax-based region fitting with Cahn--Hilliard phase-field regularization to maintain interface discrimination under weak image-driven forces. We further introduce a mixed $L^2-H^{-1}$ gradient flow, which preserves higher-order interfacial regularization while allowing adaptive changes of phase masses, establish the continuous energy dissipation law, and prove the existence and uniqueness of weak solutions in the natural solution class. For numerical computation, we develop a stabilized scalar auxiliary variable (SAV) scheme that is linear, FFT-based, and satisfies a modified discrete energy dissipation law. Numerical experiments on synthetic and medical images demonstrate that the proposed method effectively separates adjacent homogeneous structures across weak boundaries and achieves competitive segmentation accuracy and improved boundary localization compared with representative variational, phase-field, and deep learning methods.

Active Inference (AIF) frames adaptive behavior as the minimization of expected free energy (EFE), combining epistemic and pragmatic objectives within a single variational principle. We frame AIF as policy optimization and show that, for closed-loop control policies, EFE minimization can be formulated as a convex Markov decision process (MDP). This perspective reveals that policy-dependent reward prediction errors transmit natural gradients of the expected free energy backwards in time rather than up a hierarchy. Finally, we show that coupling world-model learning with policy optimization gives active inference the structure of performative reinforcement learning. Together this places EFE minimization within modern reinforcement learning and optimization theory and opens a route toward principled algorithms for active inference.

We propose a unified variational framework for image segmentation under sparse pixel-level supervision. Our method is based on a simplex-constrained Potts model with a smooth perimeter regularizer, yielding a convex, smooth energy functional that can be used as a training loss in weakly supervised deep learning paradigms or optimized efficiently using iterative methods. Sparse labels are incorporated into the data fidelity term by constructing a fuzzy membership function via a function extension problem in a Reproducing Kernel Hilbert Space (RKHS), which can effectively capture inhomogeneous intensity statistics. The derived discrete loss for training standard networks demonstrates robustness and consistent improvements over non-training and partial cross-entropy (PCE) baselines in experiments, achieving comparable performance without requiring ground-truth segmentation images.

Deep learning has proven highly effective for nonlinear system identification, but heavily parameterized neural networks are prone to overfitting in low-data regimes and lack reliable uncertainty quantification. The recently developed manifold meta-learning framework addresses the data efficiency problem by restricting the model parameters to a meta-learned low-dimensional manifold. However, that method is purely deterministic. We propose a fully probabilistic extension of the manifold meta-learning framework, based on amortized Variational Inference, where a generative prior over the low-dimensional parameter manifold is learned. During task-specific adaptation, we combine Maximum A Posteriori estimation with the Laplace approximation to yield a mathematically grounded posterior approximation. Evaluated on a static regression task and the Bouc--Wen dynamical system benchmark, the proposed approach achieves predictive accuracy comparable to its deterministic counterpart while successfully providing calibrated uncertainty bounds in severely low-data regimes.

We develop a non-asymptotic approximation, sampling, and finite-iteration optimization theory for variational physics-informed approximation of uniformly monotone nonlinear multiscale elliptic equations. For boundary-compatible neural feature classes, the population error splits into approximation, empirical quadrature, and projected-gradient terms, with all non-approximation constants uniform in the microscopic scale $\varepsilon$. Assuming a quantitative corrected $H^1$-estimate, a two-scale state class yields $$\mathcal A_m^\varepsilon \le C\bigl(\varepsilon+Φ_{0,m_0}^2+Φ_{1,m_1}^2\bigr)$$ in arbitrary dimension. We further introduce a convex primal-dual physics loss whose population value is a computable upper certificate for the state error. With additional flux-corrector regularity, a divergence-compatible two-scale flux class gives a certified state-flux bound combining $O(\varepsilon)$ approximation, state and flux feature errors, empirical sampling error, and an $O(K^{-1})$ optimization term. In contrast, for general periodic nonlinear fluxes satisfying a natural nondegeneracy condition, the empirical Rademacher complexities of strong-residual and squared-residual classes are bounded below by constant multiples of $(\varepsilon\sqrt N)^{-1}$ and $(\varepsilon^2\sqrt N)^{-1}$, respectively. These optimizer-independent lower bounds hold in every spatial dimension. Numerical experiments confirm the predicted $\varepsilon$- and $N$-scalings for nonlinear fluxes in $d=1,2,3$, validate every computed primal-dual certificate, and show that corrector-enriched classes substantially reduce energy and $H^1$ errors as the microscopic scale is refined.

Multi-object detection and tracking from noisy point clouds remain challenging in many data-scarce radar applications. Current Bayesian trackers based on Poisson measurement models offer a training-free solution but struggle to achieve accuracy and efficiency under severe clutter, large object populations, and full-resolution Doppler point clouds. We address this with PiVoT, a fast, clutter-resilient multi-object tracker for both positional and Doppler measurements. PiVoT performs end-to-end detection and tracking of a large and time-varying number of objects without external clustering or detectors, through joint inference of object states, shapes, existence probabilities, data association, and measurement rates. Its efficiency is driven by several variational inference innovations, such as theoretically justified birth pruning, quadratic-to-linear complexity reductions for exact updates, and a computationally efficient Doppler Poisson model. Experiments show that PiVoT substantially outperforms existing Bayesian trackers in challenging scenes, while also demonstrating exceptional scalability to a thousand objects, robustness to clutter visually inseparable from objects, and real-time operation on full-scale modern automotive radar datasets, where it attains performance comparable to a deep-learning detection benchmark as a training-free joint detector and tracker.

Joint-Embedding Predictive Architectures (JEPAs) are the dominant design for latent world models, yet they are usually justified by empirical performance rather than a normative principle. We show that the choice of anti-collapse regulariser determines whether a JEPA's training objective, a prediction loss plus a weighted embedding regulariser, is a valid Active Inference (AIF) variational free energy. We organise four non-contrastive regularisers (VICReg, LogDet, PairDist, and SIGReg) into an entropy-estimator hierarchy indexed by a prior-miscalibration gap, and show that the gap's sign, whether the estimator bounds the latent entropy from above or below, decides whether the AIF surprise bound survives: VICReg and LogDet are unsafe upper bounds, PairDist a safe lower bound, and SIGReg eliminates the gap. We then prove a correspondence theorem: under the standard constant-noise encoder model and successful SIGReg enforcement (isotropic-Gaussian embeddings), the gap vanishes, the objective becomes an exact information bottleneck, the surprise bound is preserved, and the latent goal cost becomes an exact proxy for AIF pragmatic value, whereas VICReg leaves an irreducible second-order anisotropy term. We extend the correspondence to multi-step expected free energy, ensemble epistemic value, and a learned-policy regime, and we identify the one AIF term no current JEPA world model computes: the state-epistemic value, a future-state coverage signal. The predictions differ in kind, not degree, and are stated here as theoretical consequences left for empirical test in separate work; full proofs are in Appendix A, and the algebraic core of every result is machine-verified in Lean 4 (Appendix D).

Causal discovery, the process of recovering underlying causal structures from observational data, is a fundamental pursuit across scientific disciplines. Over the past decades, numerous algorithms have been developed to tackle this challenge through workflows tailored to the specific causal mechanisms underlying each type of dataset, demonstrating effectiveness across a wide range of applications. However, as the volume and heterogeneity of real-world data continue to grow, this dataset-specific approach inevitably leads to a fragmented, test-driven paradigm that struggles to scale to the demands of modern scientific discovery. To address this, we formulate the Causal Discovery Foundation Model (CDFM) as a unified, general-purpose framework for zero-shot structural inference. To ensure reliable generalization across unknown domains, we first investigate the theoretical boundaries of causal identifiability, revealing the indispensable role of causal prior mechanisms in this process. Building on these insights, we formulate a principled variational framework that treats unknown causal mechanisms as latent variables and mathematically decomposes the intractable marginal likelihood into distinct, tractable learning modules. The variational decomposition provides a conceptual design principle for the architecture design of CDFM, while comprehensive causal knowledge guides the large-scale synthesis of our pretraining data. By pretraining on a massive, highly diverse space of synthetic structural causal models, CDFM successfully internalizes complex statistical asymmetries. Extensive experiments demonstrate that CDFM consistently outperforms traditional algorithms, driving a paradigm shift toward a general-purpose causal discovery foundation model.

We present, to our knowledge, the first adaptation of Pauli Correlation Encoding (PCE) to quantum topological data analysis, reformulating Betti number estimation as a depth-efficient variational optimization over a compressed qubit register. From a Takens embedding and Vietoris--Rips filtration of S&P500 returns, we extract combinatorial Laplacians and recast null-space counting as a continuous-PCE Rayleigh-quotient minimization with variational deflation, encoding $n_k$ simplex indices into $O(n_k^{1/κ})$ qubits with shallow, ancilla-free circuits. Because the resulting loss is rational rather than bilinear in the correlators, the barren-plateau bound of\cite{Sciorilli25} does not transfer; empirically the gradient variance decays only polynomially, with no exponential barren plateau, over $n=4$--$12$ qubits. The classical stage matches ripser~\cite{bauer2021ripser} on all 190 sliding windows (2007-2009). On the real market Laplacians ($β_1=1$--$22$), warm-starting from a classical null-space surrogate allows PCE-VQE to recover $β_1$ exactly at every scale, placing the obstacle in the optimisation landscape rather than the encoding. Chronologically split classification gives in-regime ROC AUC $0.818$, but out-of-distribution evaluation on the 2020 COVID shock and 2022 rate cycle (AUC $0.009$, $0.515$) shows the calibration does not generalize across crisis regimes.

In partially exploratory factor analysis (PEFA), the loading structure and factor numbers are weakly specified. The regularized variational approximation for partially confirmatory factor analysis (PCFA VA) recovers this structure via Bayesian variable selection, using spike and slab priors to assign inclusion probabilities to unspecified loadings. This research introduces a post selection assessment framework for this approach. We convert converged solutions into covariance models using either hard selection (thresholding probabilities into a sparse pattern) or soft selection (retaining them as weights for effective parameter counts). We derive the resulting degrees of freedom, absolute fit diagnostics (RMSEA, SRMR, CFI, TLI), and relative criteria (AIC, BIC, ELBO). To determine factor numbers, we propose a scale free gain rule with a sustained drop guard. Simulations show absolute indices successfully track loading recovery and flag under factoring. While raw criteria over factor, our gain rule accurately recovers true dimensionality, with the ELBO variant proving most robust. Finally, a 100 item PID 5 example demonstrates that our model fits better than a confirmatory 25 facet model and concordantly recovers major structures across disjoint specifications.

Although neural networks are remarkably effective, their underlying optimization principles remain theoretically elusive, often characterized by non-convex landscapes and stochastic heuristics. In this work, we propose a paradigm shift by replacing the discrete training problem of shallow neural networks with a well-posed continuum variational surrogate. We identify a family of $λ$-convex functionals over parameter densities in weighted Sobolev spaces and prove that these variational problems are globally well-posed, stable, and exhibit unexpected almost $C^3$ regularity. Unlike existing Wasserstein-based or Mean-Field approaches, which often face limited regularity and discretization challenges, our formulation provides direct access to elliptic regularity and convex analysis. This allows us to prove that the optimal parameter density can be obtained by solving a single linear system, bypassing iterative optimization entirely. We establish explicit generalization error controls at a rate of $1/α$ relative to the regularization parameter, and prove that finite-width networks of size $N$ achieve the continuum optimum at an $O(1/N)$ rate. This perspective bridges the gap between the Neural Tangent Kernel (NTK) and feature-learning regimes, providing a principled framework for understanding over-parameterization through the lens of variational calculus.

Neural Quantum States (NQS) are a remarkably expressive class of variational ansätze for quantum many-body wavefunctions, yet little is understood about their internal mechanisms: trained on variational objectives alone, how do NQS accurately capture physical observables that they have never been explicitly optimized for? In this work, we present a systematic approach to analyze the internal activations of NQS using sparse autoencoders. We extract features from the residual stream and demonstrate that these features strongly correlate with physical observables such as order parameters, staggered magnetization, and half-chain correlators, across both ground state representation and real-time dynamics. Remarkably, the discovery of these features is entirely unsupervised, with no physical labels provided. We further establish that such features causally affect the corresponding observables predicted by NQS, by showing that targeted, post-training intervention on a \textit{single} feature smoothly and monotonically steers the corresponding observable, while leaving the variational energy nearly unchanged. These results demonstrate that NQS are not merely functional approximators, but encode rich, interpretable internal representations of physical information. Our approach provides both a diagnostic and an intervention tool for NQS, and serves as a foundation for using mechanistic interpretability towards more reliable, transparent NQS.

Multimodal Large Language Models (MLLMs) are often constrained by a language-space bottleneck, forcing complex visual reasoning into discrete tokens which can lose perceptual nuance. A promising alternative is continuous latent reasoning, where the goal is to discover implicit reasoning pathways that bridge the multimodal query and the final answer. However, this introduces a severe train-inference mismatch: a training-time posterior, conditioned on the ground-truth answer, can exploit answer-dependent shortcuts. Standard variational training then forces the inference-time prior to mimic a posterior that has access to information unavailable at test time, leading to poor performance. To address this, we propose Asymmetric Mutual Variational Learning (AMVL), a framework that resolves this mismatch via a bidirectional calibration objective. A forward KL divergence trains the target-agnostic prior to match the posterior, while a novel reverse KL divergence simultaneously regularizes the posterior, preventing it from collapsing into inference-incompatible regions and mitigating this ``answer leakage''. We provide theoretical analysis formalizing this leakage as prior contamination and prove that our dual-KL objective reduces it. We instantiate AMVL in a latent-integrated MLLM and show that it consistently outperforms strong discrete and latent-reasoning baselines, improving the average score on the complex BLINK benchmark by +10.83 and achieving gains of up to +32.00 on individual reasoning tasks, with analyses confirming improved latent-space stability.

The use of ordinary and stochastic differential equations has led to substantial progress in generative machine learning with applications to, for example, image, video and biomolecule generation. This paper provides a self-contained and informal introduction to the differential equations, the probabilistic framework for using them in generative modeling and the Fokker--Planck equation that governs the temporal evolution of the marginal distribution of the stochastic variables of the differential equations. The variational lower bound on the log-likelihood (the evidence lower bound, ELBO) is derived and used as a general starting point for a discussion of diffusion models, score matching, and flow matching. All of these approaches may be viewed as specific parameterizations of the most general variational approach. A one-dimensional density modeling problem is used as a simple example to compare different parameterizations.

Variational Monte Carlo (VMC) is a central algorithm in electronic structure theory and has gained renewed importance through modern neural-network ansätze such as FermiNet. At its core, VMC seeks ground states by minimizing the Rayleigh quotient by stochastic optimization. In this work, we show that the resulting stochastic optimization problem is intrinsically governed by the nodal geometry of the underlying wave function. More precisely, we establish that properties of the nodal set determine the integrability of the local energy and gradient estimators that drive VMC. For broad and practically relevant ansatz classes, including Slater-Jastrow wave functions with variable-exponent Slater-type orbitals, we prove that these estimators are generically heavy-tailed and fail to admit higher moments. At the same time, for general analytic ansätze, we prove weak moment bounds for the relevant estimators and identify precise low-moment regimes, showing how generic and degenerate nodal structures lead to different integrability thresholds. Building on this analysis, we introduce a new robust variant of VMC $\unicode{x2013}$ coined PS-Clip-VMC $\unicode{x2013}$ which is based on clipping both the local energy and the gradient random variable. We prove that PS-Clip-VMC converges both in expectation and with high probability in the weak moment regime of VMC. Preliminary experiments for training FermiNet on Atoms with up to 18 electrons suggest that PS-Clip-VMC is significantly more robust than standard methods.

DGPs are probabilistic models with remarkable prediction performance that concatenate GPs across several layers. Exact inference in DGPs is intractable, and variational inference is often used to approximate the posterior with a parametric distribution tuned by minimizing the Kullback-Leibler divergence. Moreover, finding a good VI approximation is challenging. In particular, a problem of VI is posterior collapse, where VI converges to a variational posterior that matches the prior. In variational DGPs, this implies explaining the data as noise. This work studies posterior collapse in DGPs and identifies its connection to the DSVI algorithm and the widely used linear prior mean function employed in all but the last layer. We show that the benefit of the linear prior mean does not arise from avoiding the non-injective pathology in very deep DGPs, as previously believed, but from improving the conditioning of the optimization problem at initialization. Thus, we propose an alternative initialization of a zero prior mean DGP that mimics a DGP with a linear prior mean at initialization. This enables successful training of DGPs without imposing optimization-driven constraints on the prior, allowing to choose the prior based on modeling assumptions rather than optimization convenience. Our analysis considers three common parameterizations of DGPs and shows that not all of them benefit from a linear prior mean. We also explain why a whitened parameterization of the \DGP provides more stable convergence, something often assumed from experience, but lacking a rigorous analysis. Furthermore, we show that this stability is also beneficial to avoid the posterior collapse problem. Extensive experiments validate our findings: the proposed initialization prevents posterior collapse, improves stability, and achieves performance comparable to (and sometimes better than) DGPs with a linear prior mean.

The space $\mathcal{P}_2(\mathbb{R}^d$) of probability measures with finite second moment carries a natural geometry: the quadratic Wasserstein distance W_2 makes it a complete metric space and, following Otto, a (formal) Riemannian manifold whose geodesics are the optimal-transport interpolations. On this manifold, the gradient flow of the free energy F(rho) = KL(rho || π) is exactly the Fokker-Planck equation, and its implicit-Euler discretization is the JKO scheme. This is the geometry underlying diffusion models: the forward process descends the free energy, and each denoising step realizes one JKO step, which recovers DDPM, DDIM, NCSN/SMLD, and Energy Matching; this is one scheme, not separate theories. The same manifold supports a second variational principle. Its geodesics - the minimum-action curves of the Benamou-Brenier formula - are precisely the optimal-transport paths that Flow Matching learns. Fixing both endpoints and following the geodesic, generation becomes a deterministic ODE along a straight line, hence far fewer sampling steps. Placing both families of models on one manifold makes their relationship exact: diffusion follows a free-energy gradient flow, an initial-value problem; optimal-transport Flow Matching follows a Wasserstein geodesic, a boundary-value problem. The two reach the same endpoints along different paths.

Structured weight-uncertainty can improve many aspects of deep learning, but it remains costly to estimate and difficult to implement. Here, we show that these issues can be addressed by adapting the SOAP optimizer. Our key idea is to run IVON, an existing diagonal-covariance variational method, in the eigenspace of SOAP's preconditioner and then use the preconditioner to transform the diagonal estimate into a non-diagonal covariance. The resulting method has costs similar to those of SOAP and requires no drastic changes to training pipelines. We call the posteriors obtained in this way SOAP-Bubbles and our new optimizer Eigenspace-VON (EVON). We show that, for logistic regression, EVON recovers the exact Gaussian covariance and that, for language model pretraining, it yields significantly better results than existing diagonal-covariance methods. Our work makes it easier to estimate more expressive posterior distributions for deep learning at scale.

Because large language models (LLMs) are impressively successful in predicting text, it appears that they must have access to a 'world model' representing causal and definitional structure. However, the dominant formalisms of modern causal inference -- Judea Pearl's interventionist approach and the Neyman-Rubin potential outcomes framework -- struggle to illuminate how LLMs learn causal structure. I resolve this puzzle by arguing that LLMs employ a specific inductive approach based on a difference-making logic -- sometimes called variational induction. I demonstrate how central aspects of this logic are realized during training, where LLMs require enormous amounts of text data from a wide range of contexts to identify difference- and indifference-makers within word sequences. Furthermore, I analyze specific architectural features of LLMs -- such as token embeddings and self-attention -- to determine their roles in variational induction. The difference-making logic of LLMs fundamentally parallels the experimental method, where causal relations are derived by systematically varying individual circumstances to determine their influence on a phenomenon.

We present a systematic study of von Neumann entropy estimation in multi-qutrit quantum systems using two complementary approaches: variational quantum algorithms (VQAs) and classical convolutional neural networks (CNNs), evaluated using an ideal (noise-free) quantum simulator. For systems up to three qutrits, we construct and evaluate 11 hardware-efficient SU(3)-inspired ansatzes. A parameter sweep shows that estimation accuracy is primarily determined by the number of trainable parameters, provided sufficient entanglement is present. Based on this study, we fix the parameter count to approximately 120 for subsequent experiments, observing that increasing entangling-gate counts beyond a threshold yields only marginal improvements. For larger systems (two to five qutrits), we use a CNN trained on measurement outcomes from tensor-product mutually unbiased bases. The model achieves accurate and stable predictions and exhibits a systematic improvement in performance with system size, with the highest errors for two-qutrit systems and the lowest for five-qutrit systems. Notably, using only 12.5% of the measurements required for full state tomography is sufficient to reach 90th-percentile absolute errors of approximately 0.13-0.16 nats for both four- and five-qutrit systems. The CNN model is also robust to shot noise and generalizes well to out-of-distribution states. Overall, within the simulated settings studied here, our results indicate a transition in practical methods: VQAs are effective for small systems, while CNN-based estimators offer improved scalability and robustness for larger qutrit systems.

Recent research on Doeblin coefficients has shed light on their usefulness as a multi-way generalization of the Dobrushin contraction coefficient for TV distance, in a separate vein from their classic role in the theory of Markov chain ergodicity. However, strong conditions, such as being bounded away from 0, are typically necessary for Doeblin coefficients to establish the existence of information contraction. Building on recently formulated concepts of nonlinear information contraction, we aim to propose a finer-grained Doeblin-based characterization of multi-way contraction behavior which yields non-vacuous contraction guarantees even for channels whose Doeblin coefficient is 0. To this end, we introduce the notion of a Doeblin curve -- a nonlinear function which quantifies the contraction behavior of a Markov kernel on collections of input distributions at specific levels of divergence and power. Through the course of our analysis, we develop a new variational characterization of Doeblin coefficients, present several properties of Doeblin curves, define several versions of power-constrained Doeblin curves, and derive upper and lower bounds using our aforementioned variational characterization. We then utilize these results in diverse areas, including generalization bounds for noisy iterative optimization, error bounds for reliable computation with noisy circuits, and differential privacy guarantees for online iterative algorithms. In particular, we extend results in these areas to broader domains or group settings, leveraging Doeblin curves to reveal finer-grained contraction phenomena than Doeblin coefficients.

This paper develops a variational framework for regulated language generation. Starting from autoregressive token sampling, we derive the induced distribution over complete messages and relate it to an entropy-regularized Gibbs law. Regulation is modeled as an optimal discriminator whose convex-dual value is an f-divergence, and the generator-regulator interaction is formulated as a saddle-point problem. The framework applies to moderation, censorship, AI deception detection, compliance auditing, phishing defense, and manipulation control, where regulation concerns a distribution over possible messages rather than a single output. The equilibrium clarifies the tradeoff among utility, entropy, regulatory alignment, and finite-length detectability. Two finite-vocabulary case studies, censorship filtering and phishing defense, illustrate how the theory can be evaluated through utility, entropy, divergence, receiver-side scores, and detection probability.

We propose a new weak-form Physics-Informed Neural Network approach (named INI-VPINN). INI-VPINN naturally incorporates Neumann boundary and interface conditions into the variational formulation. It removes the need for additional loss terms or multiple subdomain networks. This framework employs compact support weighting functions and integration by parts to implicitly impose flux and continuity constraints. In this way, it implicitly ensures physical consistency across material boundaries. The proposed method is tested on Poisson and Laplace problems with sharp interfaces and complex geometries. Results show that, compared with several other Physics Informed Neural Networks-based formulations, the INI-VPINN consistently achieves higher accuracy, smoother and faster convergence. The proposed framework provides a general approach for solving multimaterial problems with complex geometries and mixed Neumann-Dirichlet boundary conditions using neural networks. The implementation is publicly available in a GitHub repository.

This paper is concerned with learning principal variations of random probability measures on $\mathbb{R}^m$ under the Wasserstein geometry. We introduce a new dynamical formulation to interpret the log-PCA, a linearized principal geodesic analysis, as a variational approach. Our differentiable version, termed as the Wasserstein Tangential PCA (WT-PCA), captures the local principal modes of geodesic variations of a (weighted) probability measure on the Wasserstein space via its covariance operator at barycenter. Based on the dynamical perspective and leveraging parallel transport structure of the optimal transport problems, we derive a general statistical convergence rate of the empirical WT-PCA when estimated from data in terms of the 2-Wasserstein distance between the population and empirical barycenter reference measures.

This study proposes a Petrov-Galerkin based Variational Physics-Informed Neural Network (VPINN) for efficiently solving two-dimensional singularly perturbed problems (SPPs) with one and two small perturbation parameters. The approach employs neural networks to construct the trial solution space, while tensor-product hat functions are adopted as test functions to enforce the variational form. To accurately resolve of sharp boundary layers, the variational form is implemented using a Petrov-Galerkin formulation. Dirichlet boundary conditions are imposed directly, while the source terms are computed using automatic differentiation. Computational experiments on standard two-dimensional problems demonstrate that the proposed method achieves high accuracy in both the maximum and L_2 norms. These results confirm the efficiency and robustness of the Petrov-Galerkin VPINN approach in accurately capturing the multiscale features of two-dimensional SPPs.

Fully sampled MRI requires dense k-space acquisition, leading to long scan times, reduced clinical throughput, and increased sensitivity to patient motion. Accelerated MRI addresses this by acquiring undersampled k-space data and reconstructing the missing information computationally. However, reconstruction from undersampled measurements is highly ill-posed and can introduce aliasing artifacts, noise amplification, and loss of anatomical detail. Although conventional parallel imaging and compressed sensing methods mitigate these issues, and deep learning methods have further improved reconstruction quality, preserving high-frequency structures under aggressive undersampling remains challenging. In this work, we propose a Variational Network with a Wavelet-based U-Net (W-UNet) for accelerated MRI reconstruction. The framework combines physics-guided iterative reconstruction with learnable multi-scale frequency representations. Standard pooling operations are replaced with Discrete Wavelet Transform and Inverse Wavelet Transform modules, enabling lossless downsampling while preserving low-frequency structure and high-frequency edge details. Integrated into the refinement and sensitivity map estimation stages, the proposed design improves artifact suppression, feature preservation, and reconstruction fidelity in both single-coil and multi-coil settings. Experiments on fastMRI knee and M4Raw brain datasets show state-of-the-art performance. Ablation studies further confirm the effectiveness of wavelet-based feature decomposition for accelerated MRI reconstruction.

Full waveform inversion (FWI) recovers subsurface velocity from seismic recordings by solving a severely ill-posed, nonconvex PDE-constrained optimization. Classical regularizers stabilize the inversion but fail to reproduce realistic geological structures; recent diffusion-prior methods improve realism at the cost of a fragile trade-off between data fidelity and prior consistency. We propose Decoupled Latent Optimization (DLO), which relaxes the standard latent-optimization formulation into a quadratic-penalty objective over an auxiliary physical variable and a latent variable. The data-fidelity gradient acts in physical space, the diffusion sampler contributes only through a decoded prior sample, and the standard smoothed-velocity initialization of classical FWI is preserved. On the OpenFWI benchmark, DLO outperforms classical regularizers and existing diffusion-based methods under clean, noisy, and missing-trace acquisitions. The prior, trained on 70*70 OpenFWI models, transfers directly to the Marmousi and Overthrust benchmarks, where DLO recovers intricate fault structures and remains robust to initialization smoothing and measurement noise.

Underwater imaging plays a crucial role in ocean engineering, although captured data often suffer from poor visibility and color distortion. To address these challenges, we propose a model-based deep unfolding network for underwater image enhancement that integrates variational modeling into a learnable architecture. The framework is guided by a variational formulation based on a dehazing decomposition, incorporating a multiplicative residual component to absorb remaining artifacts and a nonlocal gradient-type constraint to preserve structural details and enhance edge sharpness. We provide a theoretical analysis establishing the existence of solution for the associated minimization problem. The proposed unfolding method incorporates Mamba layers to efficiently capture self-similarities in the scene. In addition, we introduce a proximal trajectory loss that enforces consistency between the unfolding stages and the iterations of an ideal restoration regularizer. Experimental results demonstrate that the proposed unfolding approach achieves improved visual quality and competitive quantitative performance compared with recent state-of-the-art methods. The source code will be available at https://github.com/MIA-UIB/Variational-Unfolding-Mamba-Underwater-Enhancement .

Black-box variational inference (BBVI) is a methodology for posterior approximation that relies on stochastic optimization. In practice, the stochastic optimizers underpinning BBVI generally require extensive problem-specific tuning, which undermines its promise as a truly "black box" inference algorithm. However, over the past decade, many new adaptive stochastic optimization algorithms have been developed that reduce or remove entirely the need for tuning. In this work, we investigate this new collection of adaptive methods in the context of BBVI, with the goal of establishing the current state of the art in tuning-free optimization-based inference. In particular, we present a large-scale empirical evaluation of 56 stochastic gradient-based optimization algorithms applied to 1092 Bayesian inference optimization problems, involving over 550,000 individual optimization runs and 15 core-years of compute. The optimization algorithms we evaluate are chosen to represent a wide spectrum of recent approaches and the benchmark problems are chosen to span a range of difficulty, with posterior target dimension 1-10^4, condition number 1-10^8, and a range of variational families. Our results show that no single method dominates, but running a selection of 5 algorithms suffices to reliably get close to the best-possible observed performance. We thus provide a strong baseline for applications where expert tuning is not possible and for comparison when developing new stochastic optimization algorithms.

Vessel trajectory prediction from Automatic Identification System (AIS) data is essential for maritime situational awareness, yet it remains challenging due to irregular sampling, missing reports, and complex dynamics. Beyond accurate point forecasts, maritime applications also demand well-calibrated uncertainty estimates for reliable decision-making. Bayesian Neural Ordinary Differential Equations (ODEs) offer a principled framework for continuous-time trajectory modeling with uncertainty quantification by placing a prior over the neural vector field parameters. However, the commonly used isotropic Gaussian weight prior fails to encode informative structural properties of vessel dynamics, such as smoothness and locality. Existing function-space Bayesian neural network methods address this limitation for static mappings, but do not transfer directly to Neural ODEs, where the primary quantity of interest is the trajectory rather than the vector field itself. In principle, one could place a Gaussian process (GP) prior directly over ODE solutions, but this requires propagating distributions through a nonlinear ODE solver, which is analytically intractable. To address this challenge, we adopt a practical approach that imposes a GP-kernel-based prior directly on the vector field evaluated at a finite set of measurement points. Specifically, we augment the standard weight-space variational objective with a kernel-based regularizer that penalizes deviations of the vector field from the structure implied by a GP prior. To handle long and irregular AIS trajectories, we further combine this function-space regularization with probabilistic multiple shooting, which decouples inference across temporal segments while maintaining global consistency.

We present MeshFlow, a new method for generating artist-like 3D meshes. Current mesh generators often adopt Auto-Regressive (AR) next-token prediction, a natural choice given the discrete nature of mesh topology. However, AR methods scale poorly because the inference cost is quadratic in mesh size. They also require discretizing the vertex coordinates, which introduces quantization errors. To address these challenges, we introduce a Variational Autoencoder (VAE) that, supervised with a contrastive loss, represents both continuous vertex positions and discrete connectivity in a continuous latent space. This latent space is significantly more compact than prior token-based mesh representations. We then build a 3D generator based on a Rectified Flow transformer, generating all mesh vertices and edges in parallel. Our model generates meshes 18x faster than the fastest AR generator while also achieving excellent accuracy across standard mesh-generation metrics. Homepage: https://mesh-flow.github.io/, Code: https://github.com/facebookresearch/meshflow

MRI provides excellent soft-tissue contrast without ionizing radiation, but long acquisition times increase patient discomfort while also raising exam costs and limiting scanner throughput. A common approach to reduce scan time is to acquire fewer measurements, which yields an ill-posed linear inverse problem; recovering diagnostic-quality images therefore requires incorporating prior knowledge beyond the measured data. In follow-up exams, the most recent prior scan of a patient can provide a highly informative subject-specific context, but practical use is complicated by temporal changes (including pathology progression), misalignment between scans, and protocol drift across acquisitions. In this work, we introduce L-TGVN, a Longitudinal Trust-Guided Variational Network that leverages prior scans as side information to reconstruct the current scan from heavily undersampled measurements. Crucially, L-TGVN constrains the influence of prior scans to be consistent with the acquired measurements. Unlike many existing longitudinal reconstruction methods, it does not require explicit pre-registration between prior and current scans. It further accommodates differences in acquisition protocols across visits (e.g., changes in sequence parameters). We evaluate L-TGVN against matched-capacity baselines, including prior-guided methods and methods that do not use longitudinal priors, and observe consistent improvements in standard quantitative metrics together with better preservation of fine structures at challenging accelerations. Source code is available at github.com/sodicksonlab/L-TGVN.

3D Gaussian Splatting (3DGS) achieves remarkable novel view synthesis quality with real-time rendering, yet suffers from excessive memory consumption due to millions of Gaussian primitives. Existing pruning methods rely on heuristic importance scores or synchronous batch updates, leading to suboptimal compression and training instability. We propose VEDAL, a principled framework that formulates Gaussian pruning as variational free energy minimization. Our approach introduces (1) a prediction-error gating mechanism that asynchronously activates pruning based on per-Gaussian reconstruction uncertainty, and (2) a variational uncertainty head that models pruning decisions as latent variables with learnable priors. The free energy objective naturally balances reconstruction fidelity against model complexity through an information-theoretic lens. Extensive experiments on Mip-NeRF 360, Tanks&Temples, and Deep Blending demonstrate that VEDAL achieves 5.2x compression with only 0.31 dB PSNR drop, outperforming PUP 3D-GS by +0.05 dB at a higher compression ratio and LightGaussian by +0.35 dB at comparable quality, while maintaining real-time rendering at 185 FPS.

Non-monotonic sequence generation methods, such as masked diffusion models, provide a flexible alternative to left-to-right autoregressive modeling by allowing tokens to be generated in non-fixed and prescribed orders. Despite their practical advantages, most existing non-monotonic models are order-agnostic and rely on a fixed-length grid, limiting their ability to support variable-length generation and adaptive insertion order. In this work, we introduce a probabilistic framework for learning insertion order in variable-length insertion models. We formalize a bijective correspondence between insertion trajectories and permutations, which enables an exact reparameterization of the data likelihood as a sum over permutations. Building on this result, we propose the Insertion Process (IP), a stochastic generative model that jointly learns where to insert, what to insert, and when to terminate, trained via permutation-based variational inference. Unlike prior fixed-canvas approaches, IP natively supports variable-length generation and learns data-driven preferences over insertion orders. Experiments on goal-conditioned planning and molecular string generation demonstrate that learning insertion order improves both modeling quality and generalization in domains without a canonical left-to-right structure.

We present an online, distribution-free framework for controlling the Conditional Value-at-Risk (CVaR), extending conformal tail risk control to non-stationary and adversarial environments. Unlike classical risk control methods, which rely on stationarity or linearity of expectation, our approach provides provable safety guarantees for a nonlinear tail risk functional under arbitrary data-generating processes that may drift or shift strategically over time. By leveraging deep connections between conformal tail risk control, online learning, and the variational representation of CVaR introduced by Rockafellar and Uryasev, we develop a novel procedure for online CVaR control with adversarial regret guarantees. The proposed method operates without assumptions on the underlying data-generating process, making it broadly applicable in modern high-stakes deployment settings. We prove that the realized empirical CVaR is asymptotically controlled at the target level, and that the resulting control is asymptotically tight up to a finite-sample conservatism gap. We demonstrate the effectiveness of our approach on portfolio risk management and toxicity mitigation for Large Language Models (LLMs), where rare but catastrophic failures dominate system risk.

Always-on edge systems must keep learning as conditions change under tight compute budgets and must detect unreliable predictions. Bayesian binary neural networks are attractive in this setting, but mean-field Bernoulli posteriors can saturate on long non-stationary streams, wiping out epistemic uncertainty and freezing plasticity. We propose BiMU, derived from a bounded-memory variational objective that balances stability, plasticity, and forgetting. BiMU combines a data term with controlled relaxation toward the prior and an uncertainty-dependent step size that prevents saturation and sustains informative uncertainty. This non-degenerate posterior enables fully online, buffer-free active querying via Monte Carlo disagreement, reducing label queries and backpropagation updates under imbalance. BiMU sustains learning and strong OOD detection on 1000-tasks Permuted-MNIST, and on OpenLORIS-Object achieves up to 32$\times$ label/update savings at matched accuracy under class imbalance and feature compression.

Physics-Informed Neural Networks (PINNs) and their variational counterparts (VPINNs) are neural networks that incorporate physical laws, making them useful for scientific problems. Existing generalization analyses for PINNs and VPINNs remain limited, often requiring restrictive assumptions such as stability conditions or linear ellipticity. In this paper, we derive generalization bounds for neural networks that involve differentiation with respect to input variables, covering PINNs and VPINNs under a unified framework. We apply Taylor expansion to represent nonlinear differential operators as linear operators on a high-dimensional space, enabling the use of Koopman-based analysis and showing that high-rank networks can generalize well even in settings involving differential operators. We also show that the nonlinearity of the differential operator exponentially enlarges the bound, highlighting its significant impact on generalization.

Generative (diffusion) priors demonstrate remarkable performance in addressing inverse problems in imaging. Yet, for scientific and medical imaging, it is crucial that reconstruction techniques remain stable and reliable under imperfect settings. Typical definitions of stability encompass the notion of ''convergent regularization'', robustness to out-of-distribution data, and to inaccuracies in the forward operator or noise model. We evaluate these properties numerically. Furthermore, we benchmark generative approaches against modern optimization-based methods inspired by the widely used variational techniques. Our results give insights for which settings and applications generative priors can deliver state-of-the-art reconstructions, and on those in which they fall short or may even be problematic.

Population pharmacokinetic/pharmacodynamic (PK/PD) modeling traditionally relies on classical ordinary differential equations to simulate drug dynamics. In this work, we reformulate a compartmental PK/PD model as an open quantum system and implement it using quantum circuits developed in PennyLane. Four pharmacological compartments (central, peripheral, effect-site, and response) are encoded using twelve qubits, with inter-compartmental transitions represented through controlled quantum operations that emulate stochastic dynamics. The framework is evaluated on Phase 1 clinical data using a quantum-enhanced stochastic approximation expectation-maximization (SAEM) approach. Compared with the classical implementation, the quantum model achieves substantially improved log-likelihood values, indicating stronger statistical fit while preserving identical parameter estimates, thereby validating numerical consistency and model interpretability. The quantum-based optimization converges faster in terms of iterations, although total runtime is increased due to current simulation overhead. The study demonstrates stable large-scale simulation performance and establishes a hybrid quantum-classical approach that maintains biological fidelity while improving statistical modeling capacity. The dataset and problem statement originate from the Quantum Innovation Challenge 2025, and additional details are provided via the associated link.

Multiphysics simulation is critical for system-technology co-optimization (STCO) in chiplet-based design, but repeated finite-element solutions of PDE-governed problems are computationally expensive in parametric design exploration. This paper proposes a variational matrix-learning Fourier network (VMLFN) for efficient parametric multiphysics surrogate modeling. VMLFN constructs a log-space sine neural representation with randomly sampled spectral frequencies, frequency-dependent decay regulation, and embedded Dirichlet boundary conditions. With fixed hidden-layer parameters, the output-layer weights are determined by reformulating the governing PDEs into variational weak forms and enforcing the stationarity condition of the resulting energy functional. This converts physics-informed training into a linear matrix-solving problem, requiring only first-order derivatives and avoiding both high-order automatic differentiation and penalty-coefficient tuning. A heuristic frequency-scanning algorithm is further introduced to select a problem-adaptive maximum frequency that covers the dominant spectral range of the target problem. The proposed method is validated on heat conduction, solid mechanics, and Helmholtz wave propagation problems. Results from five benchmark cases demonstrate that VMLFN delivers accurate full-field predictions with substantial speedup over conventional physics-informed neural networks and repeated finite-element simulations.

Barren plateaus (BPs) are usually described by the exponential suppression of gradient variance, but the mechanism by which gradient signal disappears remains unclear. We show that this phenomenon can be understood as destructive interference among termwise gradient contributions. To make this perspective operational, we introduce a diagnostic framework based on the cancellation ratio $R_k$, the effective term count $N_{\mathrm{eff},k}$, and the interference-quality measure $B_{\mathrm{eff},k}=R_k\sqrt{N_{\mathrm{eff},k}}$. Under a random-sign model, $B_{\mathrm{eff},k}$ remains near a stable baseline, defining a random-sign cancellation regime. For the transverse-field Ising model (TFIM), we find that the hardware-efficient ansatz (HEA) remains close to this regime across system sizes and depths, whereas the Hamiltonian variational ansatz (HVA) systematically escapes it. In particular, HVA exhibits larger $B_{\mathrm{eff},k}$ not merely because $N_{\mathrm{eff},k}$ is larger, but because $R_k$ also remains systematically larger despite the broader term participation. This pattern indicates improved sign organization rather than simple term suppression. We further establish an exact identity that connects the proposed interference diagnostics directly to the standard variance-based theory of BPs. These results position destructive interference as a mechanistic interpretation of BP-like behavior in the regimes studied here, but they do not imply that BPs and destructive interference are universally interchangeable across all architectures and settings.

Hierarchical Gaussian Filtering (HGF) networks allow for efficient updating of posterior distributions (beliefs) about hidden states of an agent's environment. HGF parent nodes can target the mean or variance of their children. New information entering at input nodes leads to a cascade of belief updates across the network according to one-step update equations for each node's mean and precision (inverse variance). However, the original form of the update equations for variance-targeting parents(volatility coupling) can in some regions of parameter space lead to negative posterior precision, a logical impossibility which causes the updating algorithm to terminate with an error. In this report, we introduce a modified quadratic approximation to the variational energy of volatility-coupled nodes that avoids negative posterior precision. The key idea is to interpolate between two quadratic expansions of the variational energy: one at the prior prediction and one at a second mode whose location is obtained in closed form via the Lambert W function. The resulting update equations are robust across the entire parameter space and faithfully track the variational posterior even for large prediction errors.

Exponential families encompass the distributions central to modern machine learning -- softmax, Gaussians, and Boltzmann distributions -- and underlie the theory of variational inference, entropy-regularized reinforcement learning, and RLHF. We isolate a simple identity for exponential families that expresses the KL difference $\mathrm{KL}(q \| p_{λ_2}) - \mathrm{KL}(q \| p_{λ_1})$ in terms of the log-partition function $A(λ)$ and the moment $μ_q$. Remarkably, this identity together with the single fact that $\mathrm{KL} \geq 0$ (with equality iff $p = q$) suffices, by direct substitution and rearrangement, to derive a cluster of results that are classically obtained by separate, heavier arguments: a generalized three-point identity for arbitrary reference distributions, Pythagorean theorems for I-projections and reverse I-projections, convexity of the log-partition function, identification of its Legendre dual in KL terms, the Gibbs variational principle, and the explicit optimizer in KL-regularized reward maximization, including the exponential tilting formula underlying entropy-regularized control and RLHF. Beyond these purely algebraic consequences, standard analytic arguments recover the gradient formula for the log-partition function, the Bregman representation of within-family KL divergence, and the surjectivity of the moment map. The note is self-contained.

Aligning denoising generative models with human preferences or verifiable rewards remains a key challenge. While policy-gradient online reinforcement learning (RL) offers a principled post-training framework, its direct application is hindered by the intractable likelihoods of these models. Prior work therefore either optimizes an induced Markov decision process (MDP) over sampling trajectories, which is stable but inefficient, or uses likelihood surrogates based on the diffusion evidence lower bound (ELBO), which have so far underperformed on visual generation. Our key insight is that the ELBO-based approach can, in fact, be made both stable and efficient. By reducing surrogate variance and controlling gradient steps, we show that this approach can beat MDP-based methods. To this end, we introduce Variational GRPO (V-GRPO), a method that integrates ELBO-based surrogates with the Group Relative Policy Optimization (GRPO) algorithm, alongside a set of simple yet essential techniques. Our method is easy to implement, aligns with pretraining objectives, and avoids the limitations of MDP-based methods. V-GRPO achieves state-of-the-art performance in text-to-image synthesis, while delivering a $2\times$ speedup over MixGRPO and a $3\times$ speedup over DiffusionNFT.

When approximating an intractable density via variational inference (VI) the variational family is typically chosen as a simple parametric family that very likely does not contain the target. This raises the question: Under which conditions can we recover characteristics of the target despite misspecification? In this work, we extend previous theoretical results on robust VI with location-scale families under target symmetries in two substantial ways: (1) We open them up to a wider range of divergences by providing sufficient conditions for exact recovery of the target mean and correlation matrix when using the forward Kullback-Leibler divergence and $α$-divergences. (2) By doing so, we find that we can drop the restrictive assumption of a log-concave target made in previous work, allowing us to give guarantees for a wider range of targets, including multi-modal ones. In our experiments, we show how our guarantees can serve as guidelines for the choice of the variational family and $α$-value and we illustrate on a diverse set of examples how and why optimization can fail in the absence of our sufficient conditions.

This paper presents the hybrid solver for a $CO_2$ sequestration problem. The solver uses the IGA-ADS (IsoGeometric Analysis Alternating Directions solver) to compute the saturation scalar field update using the explicit method, and CRVPINN (Collocation-based Robust Variational Physics Informed Neural Networks solver) to compute the pressure scalar field. The study focuses on simulating the physical behavior of $CO_2$ in porous structures, excluding chemical reactions. The mathematical model is based on Darcy's Law. The CRVPINN is pretrained on the initial pressure configuration, and the time step pressure updates require only 100 iterations of the Adam method per time step. We compare our hybrid IGA-ADS solver, coupled with the CRVPINN method, with a baseline of the IGA-ADS solver coupled with the MUMPS direct solver. Our hybrid solver is over 3 times faster on a single computational node from the ARES cluster of ACK CYFRONET. Future work includes extensive testing, inverse problem solving, and potential application to $H_2$ storage problems.

Learning the underlying potential energy of stochastic gradient systems from partial and noisy observations is a fundamental problem arising in physics, chemistry, and data-driven modeling. Classical approaches often rely on direct regression of governing equations or velocity fields, which can be sensitive to noise and external perturbations and may fail when observations are incomplete. In this work, we propose a structure-aware, energy-based learning framework for inferring unknown potential functions in generalized diffusion processes, grounded in the energetic variational approach. Starting from the energy-dissipation law associated with the Fokker-Planck equation, we construct loss functions based on the De Giorgi dissipation functional, which consistently couple the free energy and the dissipation mechanism of the system. This formulation avoids explicit enforcement of the governing partial differential equation and preserves the underlying variational structure of the dynamics. Through numerical experiments in one, two, and three dimensions, we demonstrate that the proposed energy-based loss exhibits enhanced robustness with respect to observation time, noise level, and the diversity and amount of available training data. These results highlight the effectiveness of energy-dissipation principles as a reliable foundation for learning stochastic diffusion dynamics from data.

The goal of machine learning is to find models that minimize prediction error on data that has not yet been seen. Its operational paradigm assumes access to a dataset $S$ and articulates a scheme for evaluating how well a given model performs on an arbitrary sample. The sample can be $S$ (in which case we speak of in-sample'' performance) or some entirely new $S'$ (in which case we speak of out-of-sample'' performance). Traditional analysis of generalization assumes that both in- and out-of-sample data are i.i.d.\ draws from an infinite population. However, these probabilistic assumptions cannot be verified even in principle. This paper presents an alternative view of generalization through the lens of sensitivity analysis of solutions of optimization problems to perturbations in the problem data. Under this framework, generalization bounds are obtained by purely deterministic means and take the form of variational principles that relate in-sample and out-of-sample evaluations through an error term that quantifies how close out-of-sample data are to in-sample data. Statistical assumptions can then be used \textit{ex post} to characterize the situations when this error term is small (either on average or with high probability).

Barren-plateau results have established exponential gradient suppression as a widely cited obstacle to the scalability of variational quantum algorithms. When and whether these results extend to a given objective has been addressed through loss-specific arguments, but a general structural characterization has remained open. We show that the objective itself admits a fixed-observable representation if and only if the loss is affine in the measured statistics, thereby identifying the exact boundary of the standard concentration-based proof template. Existing transfer results for non-affine losses achieve this reduction under additional assumptions; our characterization implies that such a reduction is not structurally available for a class of non-affine objectives, placing them outside the automatic reach of the existing proof template. Beyond the affine regime, a chain-rule decomposition reveals three governing factors -- model responsivity, loss-side signal, and transmittance -- and induces a loss-class dichotomy: bounded-gradient losses inherit suppression, while amplification-capable losses can in principle counteract it. In the exponentially wide setting, both classes fail, but for different structural reasons. When the interface is instead designed at polynomial width -- exposing coarse-grained statistics rather than individual bitstring probabilities -- the exponential-dimensional obstruction is relaxed and the dichotomy plays a genuine role. In a numerical demonstration on a charge-conserving quantum system, the amplification-capable objective produces resolved gradients several orders of magnitude larger than affine and inheriting baselines at comparable shot budgets. Over the tested interval, its scaling trend is statistically distinguished from the exponential trend of both alternatives. The boundary is affine; what lies beyond it is a representation-design problem.