Information-Geometric Optimization

High-capacity associative memories based on Kernel Logistic Regression (KLR) exhibit a "Ridge of Optimization" characterized by extreme stability and a highly skewed weight spectrum. However, the dynamical process by which learning converges to this critical regime has remained unclear. This paper provides a geometric analysis of the learning trajectories on the statistical manifold of a KLR-trained Hopfield network. By comparing the paths of Gradient Descent (GD) and Natural Gradient Descent (NGD), we elucidate the mechanisms governing the optimization process. Our analysis reveals that learning on the Ridge proceeds in two distinct phases. We show that the extreme curvature of the Ridge causes standard GD to follow a highly oscillatory, non-geodesic path. In stark contrast, NGD explicitly corrects for this geometry, following the ideal geodesic path and completely overcoming the instabilities faced by GD. We demonstrate experimentally that NGD not only converges significantly faster but also achieves a solution with superior generalization performance. These results establish that the highly structured geometry of the Ridge is optimally suited for information-geometric optimization, providing a new perspective on the interplay between learning dynamics and emergent representation geometry.

Density-based topology optimization is typically structured as a nested sequence of material updates, structural analyses, and sensitivity assessments. While neural density parameterization and dual-field physics-informed approaches provide data-free alternatives, most existing methods represent density and displacement as coordinate fields and make limited use of the discrete relationships inherent in the finite element mesh. The present study introduces HGTO, a unified graph-based formulation that extends complete neural topology optimization from coordinate space to finite-element graph space. Element densities are parameterized on the element graph derived from the mesh, and the structural state is determined on the corresponding node--element hypergraph. Finite element kinematics, numerical quadrature, constitutive response, and force assembly remain explicitly defined operations within the differentiable computation. The material field and equilibrium state are therefore coupled through a common finite-element incidence structure. Numerical studies show compliance comparable to conventional density-based optimization at substantially lower computational cost than a representative coordinate-based dual-field neural method. The same coupled formulation accommodates high-resolution and irregular meshes, three-dimensional structures, finite deformation, and elastoplastic response.

The use of B-splines and Non-Uniform Rational B-Splines surfaces constitutes the mathematical foundation of contemporary computer-aided design (CAD) systems. Despite long-term progress, geometric kernels in traditional CAD still rely heavily on predetermined heuristic initialization for surface fitting and parameterization. Meanwhile, the procedural semantics and design intent encoded in modeling histories are largely ignored during geometry generation. This disconnect creates a gap between high-level design intent and solver-executable geometric configuration, often leading to suboptimal and semantically inconsistent fitting results. To bridge this gap, we introduce LASP, a Language-Augmented Semantic Priors framework that leverages large language models (LLMs) to infer structured, solver-usable B-spline priors from procedural modeling histories. Rather than modifying the geometric kernel itself, LASP operates as a semantic reasoning layer above existing solvers. It first translates modeling histories into rich textual descriptions that capture design intent, geometric context, and functional relationships, and then uses a fine-tuned LLM to predict structured B-spline prior parameters. LASP is trained through a two-stage scheme that combines local geometric regularities with long-range contextual dependencies, producing priors that are both interpretable and semantically coherent. This approach furnishes inductive signals that direct the conventional B-spline fitting process toward solutions that more accurately encapsulate the intended design objectives and demonstrate heightened semantic coherence. Compared to traditional machine learning schemes, the experiments demonstrate that language-driven reasoning can serve as a powerful inductive bias for geometric solving, establishing a new paradigm of language-guided geometric optimization in modern CAD systems.

Natural load-bearing patterns such as leaf venation, trabecular bone, and spider webs achieve high stiffness per unit mass, yet classical topology optimizers rarely reach such geometries, and few let engineers express structural design intent through natural language. This work treats a frozen text-to-image diffusion model as a training-free source of design knowledge and distills it into the physics loop of density-based topology optimization via score distillation sampling, so that a text prompt becomes an explicit, machine-interpretable representation of engineer intent. The prompt-induced generative gradient and the finite element sensitivity are combined at every iteration, letting physics decide which prompt-induced features survive. In 245 primary SDS runs spanning four geometric domains and two physics regimes, 38 of 49 prompt--domain combinations achieved statistically significant compliance reductions (up to $-31.5\%$ mechanical and $-23.0\%$ thermoelastic), outperforming gradient-based baselines. Cross-domain morphological analysis identifies a recurring structural signature of improvement: in most domains the generative prior suppresses dead-end branches in the rib skeleton, with endpoint--compliance correlation $r = +0.56$ to $+0.99$. A Heaviside projection with $\beta$-continuation resolves a pronounced intermediate-density tendency in this diffusion--physics coupling ($42.6\%$ to $<3\%$), and an automated skeleton-based pipeline converts optimized density fields into \rev{candidate geometry ready for computer-aided design. By retargeting the generative prior across domains, loading conditions, and physics objectives through a change of text prompt, with each new problem's physics setup specified separately, the framework uses a pretrained generative model as a reusable, training-free prior for engineering design.

Gaussian-process Bayesian optimization (GP-BO) excels at black-box optimization of costly functions, e.g., hyperparameter optimization (HPO) and multi-agent system (MAS) design. Convergence-rate guarantees exist for select methods, notably GP upper confidence bound (GP-UCB), but require a fixed kernel. Critically, the kernel encodes how input proximity affects objective value similarity. When raw coordinates poorly match this geometry - as with log-scaled hyperparameters or localized peaks - input warping can greatly improve sample efficiency, yet known GP-UCB proofs require a fixed kernel. We propose Finite-Library Input-Warped Bayesian Optimization (FLIWBO), which selects warps from a finite library of smooth input maps by any history-dependent rule. It adapts the input geometry to accelerate learning while retaining high-probability convergence guarantees under mild hypotheses, with an explicit $\sqrt(N_\varepsilon)$ library-size cost. Controlled diagnostics show that finite-library warping repairs planted geometry mismatches and identify FLIWBO failure cases. Across four repeated benchmarks - warped synthetic objectives, a confidence-fence trap, and Fashion-MNIST HPO - FLIWBO-UCB beats raw-coordinate GP-UCB under misspecified geometry, escapes traps that defeat even oracle-warp expected improvement, and recovers much of the gain from manual log scaling, while leading the tested methods that admit a matching regret guarantee. A 20-dimensional MAS design study further shows feasibility under costly noisy evaluations. Code for experiments is available: https://github.com/edvin-ketabati/bogp-paper-experiments.

Muon motivates designing optimizer geometry around the function of each parameter block and uses the spectral norm for hidden linear layers. For the language-model head, the spectral norm is not a faithful measure of functional change. Softmax removes shared logit shifts, whereas the spectral norm can assign arbitrarily large size to updates that change no output probability. We therefore treat the LM head and softmax as one module and derive an update geometry for their composition. Hilbert's projective distance respects this invariance as it measures the largest change in pairwise log odds. For an update $S$ with token rows $s_i^\top$, we show that the largest Hilbert distance over $\left\lVert h\right\rVert_2\leq H$ is exactly $H D(S)$, where $D(S)=\max_{i<j}\left\lVert s_i - s_j\right\rVert_2$ is the Euclidean row diameter. This diameter replaces the spectral norm in the resulting Muon-style steepest descent problem. An exact solution is possible, but its direct formulation contains one $d$-dimensional vector variable for every token pair. For a vocabulary size of approximately $50$k, this means more than one billion token pairs, making the calculation impractical at every training step. We instead impose a stronger common-ball constraint and derive projected RowNorm as an $O(Vd)$ solution. For the exact RowNorm oracle, we prove that its first-order decrease is at least $1/\sqrt{2}$ of the exact diameter-constrained optimum. With Muon on the backbone, experiments across three seeds at 190M, 380M, and 640M parameters show that RowNorm reduces mean final step diameters and empirical Hilbert RMS perturbations by factors of $45$--$60$ and $12$--$15$, respectively, with only a $0.0057$--$0.0153$ increase in mean final validation loss.

Motion planning problems such as collision-free navigation and contact-rich manipulation can be naturally formulated as optimization problems that couple discrete decisions with continuous trajectories. The Graphs of Convex Sets (GCS) framework offers a practical solution to these problems. It represents discrete decisions as nodes of a graph and encodes continuous trajectories in the edges connecting them. However, the resulting optimization subproblems can become computationally prohibitive for online replanning. In this work, we propose a learning-based strategy to mitigate this limitation. Specifically, we replace the costly convex relaxation step required by nominal GCS with a single forward pass through a Graph Attention Network that predicts a set of highly probable candidate paths through the graph. A lightweight ranking network then orders these candidates by their estimated trajectory cost. Evaluating them in this order, we terminate our search early while still recovering a near-optimal motion plan. We validate the resulting pipeline across diverse robotic tasks, including collision-free motion planning for a 3D quadrotor and a 7-DoF manipulator, and planning through contact for planar pushing. Across both convex and non-convex cost and constraint settings, our approach yields up to two orders of magnitude speedup over nominal GCS while maintaining a 100% success rate, at the cost of some suboptimality in the recovered solutions. Code implementations and video demonstrations can be found at https://neural-gcs.github.io/.

Optimizing 3D shapes within the latent spaces of deep generative models is fundamental to computer assisted engineering, yet remains prone to a critical failure mode we term manifold drift: the tendency of gradient-based optimization to move latent vectors away from the manifold of valid shapes. This problem is exacerbated in state-of-the-art 3D shape generative models that operate in increasingly high-dimensional latent spaces where valid shapes occupy a vanishingly small fraction of the full space. Existing mitigation strategies, including latent regularization and flow-matching approaches, either sacrifice expressiveness, demand a difficult trade-off between objective guidance and generative fidelity that remains prone to manifold drift, or are computationally infeasible to scale to modern, large-capacity 3D shape models. We introduce a novel optimizer-corrector framework that alternates between gradient steps for objective minimization and guided flow matching to drive the latent state back to the valid shape manifold. By decoupling objective minimization from flow-based correction, optimizing freely and correcting strictly, this alternating design avoids inherent trade-offs, preserving geometric validity without sacrificing expressiveness while remaining computationally feasible on modern 3D shape models. We demonstrate its effectiveness across generative priors of varying complexity, from simple vector latent spaces to large-scale architectures across a variety of downstream optimization tasks, including aerodynamic drag reduction and object compliance optimization.

Sampling-based methods offer a principled approach to uncertainty quantification in Bayesian neural networks. Their practical use, however, is often challenged by the computational cost of exploring high-dimensional and multimodal posterior distributions. To overcome these difficulties, Bayesian Deep Ensembles, i.e., warmstarting the sampling from several optimized solutions, have proven to be an effective strategy. In this paper, we demonstrate that curvature estimates computed during the warmstart as a byproduct in adaptive optimizers such as AdamW can inform the sampling phase at negligible additional cost. Specifically, our proposed preconditioned sampling strategy based on optimizer-derived geometries can substantially reduce or even eliminate the need for a lengthy sampling burn-in phase and leads to greater numerical stability. This approach consistently maintains or improves predictive performance and uncertainty quantification without any additional computational costs. We confirm the consistency of our findings across various datasets and network architectures.

Given a binary-labeled linearly separable dataset, and the objective is to compute the maximum-margin separating hyperplane, also known as the hard-margin Support Vector Machine (SVM) classifier. This paper investigates whether, if given an initial separating hyperplane, can it be exploited to reach this unique optimum more efficiently. We present a geometric approach that gradually improves the alignment of the hyperplane, starting from an initial separating hyperplane, while preserving separation and continuously increasing its margin until convergence to the global optimum. At each iteration, the method considers only local information, namely the current active set, and aims to re-align the hyperplane according to the optimal separating hyperplane of this reduced subset. Consequently, the original convex quadratic optimization problem is addressed through a sequence of smaller subproblems. The paper presents the algorithm in detail, together with a preliminary experimental evaluation and several theoretical findings. The results suggest that, when an initial separating hyperplane is available, the proposed method can be competitive on larger datasets and, in some cases, can outperform state-of-the-art approaches that solve the optimization problem directly.

Topology optimisation (TO) often requires repeated finite element analysis and sensitivity-based material updates, which can be costly when multiple candidate designs are needed under varying physical and design conditions. Generative TO offers a route to rapid design exploration, but existing models may rely on adversarial training, long reverse-diffusion sampling, or external guidance to maintain structural feasibility and physical consistency. This study develops a flow matching-based topology optimisation (FMTO) framework for conditional topology generation. Linear FMTO is first formulated as an endpoint-based baseline by interpolating between a Gaussian source field and the BESO reference topology. To introduce mechanically meaningful intermediate states, a trajectory-aware FMTO formulation is proposed, where volume-fraction-indexed BESO states are used to construct the probability path and target velocity field. This incorporates physics-guided optimisation history into generative flow learning without adding inference-time optimisation. A path--velocity mismatch analysis explains why moderate trajectory weighting can improve generation stability, whereas excessive guidance may over-constrain the learned transport. Numerical examples show that FMTO generates diverse topology candidates with improved compliance-related performance, volume-fraction satisfaction, topology fidelity, and substantially fewer sampling steps than a diffusion-based baseline. Under limited training data, trajectory-aware FMTO achieves the best overall performance with a moderate trajectory weight. Studies on trajectory-anchor density and three-dimensional topology generation further demonstrate the influence of path design and the applicability of the proposed framework beyond two-dimensional problems.

The inverse design of physical systems governed by partial differential equations is computationally demanding due to the high dimensionality and non-convexity of design spaces. Generative models for inverse design often lack robustness and transferability, whereas evolutionary strategies are robust but struggle in high-dimensional spaces. This paper introduces a Neural Operator-enabled Topology-informed Evolutionary Strategy (NOTES) that integrates dimensionality reduction, representation learning, and evolutionary optimization for efficient and transferable inverse design. NOTES couples a DeepONet-based neural operator with the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) to perform global optimization in a compact latent space that encodes topology-aware priors while discovering high-performance designs for unseen operating conditions. Applied to nanophotonic beam-deflector inverse design governed by Maxwell's equations, NOTES reduces the design dimensionality from 256 to 25 and consistently achieves over 95 percent efficiency, outperforming CMA-ES, topology optimization, and other baselines. Applied to structural optimization, NOTES discovers designs that achieve compliance down to 246. By decoupling topology learning of a DeepONet from the governing physics in a PDE solver, NOTES provides a flexible and transferable framework for the inverse design of physical systems.

Optimizer experiments observe responses to algorithmic configurations without uniquely revealing hidden mechanisms. We develop a causal optimizer interaction calculus that separates pathwise realization, Mobius decomposition, and experimental identification. Under a fixed innovation coupling, every finite-horizon innovation-driven optimizer admits a behaviorally minimal pathwise realization. For any finite effect support and intervention design, an incidence operator gives the complete observational gauge, exact identifiability, sharp quotient stability, held-out predictions, and exact noiseless configuration complexity. Smooth hidden relaxation generates interactions through inverse hidden-state stiffness. Building on this structural law, we prove an observable-readout transfer theorem: arbitrary smooth update or trace readouts inherit an explicit five-term interaction through first and second hidden responses. Unlike the reduced optimal value, a general readout has no universal interaction sign. Its Boolean effects remain exact integrals of continuous interaction curvature and can therefore be identified by factorial interventions. We also derive Gaussian quotient minimax risk, exact confidence sets and tests, misspecification decomposition, certified downstream decisions, and optimal replication. A controlled real-data experiment on a 65-dimensional strongly convex logistic model validates the complete reduced-value chain. Boolean effects and independently integrated curvature agree within 4.21e-11, while nine held-out continuous intensities agree within 8.88e-13. Gaussian campaigns attain the predicted coverage and power, and 4,500 real-minibatch observations reject an order-two interaction model. Neural trace audits provide complementary evidence that the declared response classes remain informative in nonconvex training.

Structured preconditioners restrict optimization to a small family of positive metrics, but endpoint condition-number reachability does not measure the geometric effort required to reach a useful metric. We formulate this effort as a path-space value problem. Restricted dynamic geometric complexity is the least affine-invariant length of an admissible metric path whose endpoint reaches a Hessian-relative generalized-eigenvalue condition target. Path elimination gives an exact min-plus semigroup and Bellman principle, while fixed-horizon kinetic energy is exactly squared complexity divided by twice the horizon. The main response result is global on a Hadamard state space: geodesic convexity produces a smooth intervention-cube path branch and a uniformly coercive Jacobi form, while one Green inverse generates the value Hessian, two-sided force-to-curvature bounds, exact Möbius effects, and arbitrary prescribed finite-order responses. For the hard condition target, a bordered Jacobi--KKT theorem differentiates the moving projection endpoint and multiplier on every regular active spectral stratum; its indefinite inverse also explains why hard-target interactions need not share the unconstrained sign. The theory specializes to affine-invariant positive-definite geometry. A determinant-one two-dimensional diagonal model has an exact target interval, a closed-form forced path, and a strictly negative-definite interaction matrix. A moving diagonal Hessian gives a closed-form hard-target projection, multiplier, and pair effects of either sign, while a coordinate-sequential three-dimensional protocol yields an exact path metric strictly larger than the ambient projection distance. Thus the global Green and bordered hard-target responses are explicit laws of restricted metric-path elimination built on Bellman composition.

Adaptive optimizers carry hidden states that change how visible gradients become parameter motion. We develop optimization geometrodynamics as a variational theory of this hidden geometry. Infimal pushforward eliminates all hidden states realizing the same action and composes across optimizer hierarchies. Under smooth nondegeneracy, it yields hidden susceptibility and the Schur-complement curvature seen after relaxation. For affine pre-reduction perturbations, the induced interaction curvature is the negative-semidefinite operator $-G^*H^{-1}G$, whose mixed entries integrate to finite mechanism contrasts. Our main realization is the determinant-one affine-invariant SPD action map $P\mapsto PA$. We prove a global analytic bundle with closed totally geodesic fibers and a unique analytic nearest-controller section. A strongly convex fiber theorem and an explicit logarithmic action residual give a globally linearly convergent solver from every feasible initializer, together with nonasymptotic value, controller-distance, and residual bounds and observable posterior stopping certificates. A conditional inexact result propagates supplied rigorous residual-error and radius majorants. The dense spectral kernel is confined to an active subspace of dimension $r\le 2m$, yielding an explicit spectral-arithmetic operation bound and a strict dimensional reduction when $r<d$. For nested shape-normalized quadratic actions, canonical multi-secant projections satisfy an exact CAT(0) Pythagorean decrease and recover the determinant-one inverse Hessian shape at the sharp rank threshold $d-1$, provided the scalar gauge $c_H=(\det H)^{1/d}$ is known. These results turn the action bundle into an exact iterative computation with posterior certificates and a finite-identification theory.

Engineering shape optimization faces challenges in both expert-dependent problem setup and surrogate-model reliability. In practical aerodynamic design, optimization settings such as editable regions, deformation ranges, and design-preservation constraints are typically specified manually by experienced engineers, while surrogate-based optimization may become unreliable for heterogeneous geometry databases and out-of-distribution designs. To address these challenges, we propose a knowledge-constrained shape-optimization framework that translates knowledge-based constraints and user intent into quantifiable parameters of DFFD-based deformation operators, enabling engineering-aware and controllable constrained optimization. We further develop a Mixture-of-Experts Neural Operator (MoE-NO) to improve drag prediction and trend consistency over heterogeneous aerodynamic datasets. Based on the MoE-NO encoder and Mahalanobis distance, an uncertainty-estimation strategy is introduced to detect out-of-distribution geometries and selectively trigger physics-solver feedback for local sample enrichment. Experiments on in-house MPV, SUV, and Sedan datasets show that MoE-NO achieves a test-set MAPE of $1.16\%$ and a trend-prediction accuracy of $94.34\%$, outperforming the best baseline results of $1.52\%$ and $90.34\%$, respectively. Vehicle shape-optimization experiments further yield CFD-validated drag coefficient reductions of approximately $4\%$ to $10\%$.

Balancing exploration and exploitation remains a central challenge in metaheuristic optimization. To address this issue, this paper proposes Bézier Walk Evolution (BWE), a geometry-driven optimization framework that reformulates evolutionary search as adaptive trajectory construction in the decision space. BWE integrates Bézier curve modeling with a distance-aware random walk mechanism to generate topology-guided search trajectories. By adaptively varying the curve order during evolution, the proposed method enables a smooth transition from diversified global exploration to refined local exploitation. Higher-order Bézier curves leverage multiple population-derived control points to enhance search diversity, while lower-order curves generate near-linear trajectories to improve convergence efficiency. This adaptive geometric search mechanism provides an interpretable alternative to conventional nature-inspired designs. Extensive experiments on 41 benchmark functions from the CEC2017 and CEC2022 suites, spanning dimensions from 10 to 100, show that BWE achieves strong overall performance and favorable scalability compared with 7 classical and 6 state-of-the-art optimizers, including L-SHADE and CMA-ES. Additional evaluations on five constrained engineering design problems further demonstrate the practical applicability and robustness of BWE.

Information-Geometric Optimization (IGO) provides a unified framework for black-box optimization by interpreting the adaptation of a search distribution as a natural gradient update. Despite its conceptual importance, the convergence theory of IGO remains limited: most existing results concern continuous-time idealizations such as the IGO flow, rather than discrete-time updates with non-infinitesimal learning rates. In this paper, we study discrete-time IGO in continuous spaces, formulated as natural gradient updates in the expectation-parameter coordinates of an exponential family. In particular, we analyze IGO over the multivariate Gaussian family on strongly convex quadratic objective functions. Our analysis covers a setting that simultaneously incorporates full covariance adaptation, a fixed positive learning rate, and quantile-based weights. In this setting, we prove that the covariance matrix converges to the zero matrix. We further show that the mean vector converges to the global optimum, provided that the condition number of the appropriately scaled covariance matrix is bounded at sufficiently frequent iterations. These results advance the convergence theory of IGO and help bridge the gap between the mathematical theory of IGO and practical covariance-adaptive search methods such as CMA-ES.

Most existing approaches either fix the container in advance or optimize only a single container dimension through an outer search loop, leaving the remaining dimensions as a manual tuning problem. We present a differentiable packing framework that jointly optimizes all 6N object pose parameters and all three container side lengths inside a single gradient-based loop. The formulation combines six physics-inspired, differentiable loss terms computed directly on triangle meshes through axis-aligned bounding-box proxies. An adaptive squeezing mechanism periodically tightens the container whenever the overlap loss falls below a pair-count-scaled threshold, producing a large initial drop in container volume, followed by small refinements. All pairwise computations are written in tensor-broadcasting form, giving a 3.4 to 54 times speedup over a reference loop-based implementation. The pipeline is implemented in Python and PyTorch, with no physics engine, FFT library, or convex decomposition. On multiple object categories, the method produces containers that are 11 to 32 percent smaller than time-matched DBLF and simulated-annealing baselines at N =100, while running in under 4 minutes per instance on a single consumer GPU.

Mixed categorical-continuous optimization arises in many practical domains, yet remains challenging. In the black-box setting, evolution strategy-based approaches have shown promise in extending the efficiency and robustness of the CMA-ES to mixed-variable spaces. However, these methods exhibit worsened performance when strong categorical-continuous interactions are present, as their underlying search distributions assume independence between categorical and continuous variables. To address this limitation, we propose a bilevel optimization framework that explicitly captures such interactions by optimizing over categorical variables in an outer loop, and over continuous variables conditioned on each categorical configuration in an inner loop. We formulate each level of the bilevel problem as a stochastic relaxation under information-geometric optimization. To mitigate the high computational cost inherent to bilevel optimization, we introduce a warm-starting strategy that accelerates the lower-level search by selecting the best among multiple cached configurations and updating the cache after each iteration. Experimental results on binary-continuous domain demonstrate that the proposed method outperforms existing state-of-the-art approaches in interaction-handling capability while also being more computationally efficient across benchmarks encompassing both previously reported and newly proposed types of interaction.

Inverse Optimal Control (IOC) aims to recover the cost function that explains observed trajectories as solutions of an optimal control problem. Classical IOC formulations rely on bilevel optimization, which repeatedly solves a nested optimal control problem and quickly becomes computationally prohibitive for realistic systems. Recent projection-based approaches offer a promising alternative but suffer from numerical instability when solved with gradient-based methods due to violations of standard constraint qualifications. In this paper, we show that these difficulties stem from the geometric structure of the IOC feasible set. We demonstrate that the set of trajectories satisfying the optimality conditions naturally forms a manifold and reformulate IOC as an optimization problem on this manifold. Based on this insight, we propose a Riemannian Inverse Optimal Control (RIOC) method that projects observed trajectories onto the manifold of optimal solutions while preserving feasibility by construction. Experiments on real human arm trajectories show that the proposed method achieves comparable or better reconstruction accuracy than classical bilevel IOC while reducing computation time by about a factor of four. These results highlight the potential of geometric optimization methods to improve the scalability and reliability of IOC for robotics and human motion analysis.

We propose a new framework for optimisation over non-Archimedean spaces inspired by Berkovich geometry. Specifically, we introduce polydisc spaces, which consists of products of closed balls over a non-Archimedean field. These spaces retain the rigid hierarchical structure of the non-Archimedean field whilst acquiring many desirable geometric features absent from it. We show that metric trees embed naturally into these spaces, demonstrating their capacity to represent hierarchical data. We study their metric geometry, establishing properties such as geodesic uniqueness, confirming their comaptibility with classical optimisation techniques. We further propose a class of real-valued functions given by linear combinations of absolute values of polynomials. These functions admit a piecewise polynomial description along geodesics and satisfy a universal approximation property. We formulate a theory of optimisation on polydisc spaces: we prove existence of minimisers and explore algorithms for finding them. We provide an accompanying open-source Julia library implementing the core objects and optimisation procedures introduced.

Surrogate models for topology optimization (TO) exhibit highly variable out-of-distribution (OOD) generalization under distribution shifts such as changing loads or boundary conditions, yet the source of this variability remains unclear. We hypothesize that OOD performance is governed by how much information the conditioning signal preserves about the adjoint sensitivity (reduced gradient) that drives classical TO. Modeling the TO pipeline as a causal Markov chain, the Data Processing Inequality establishes that, under this abstraction, the sensitivity field is an information-theoretically optimal conditioning signal for topology prediction. However, computing exact adjoint sensitivities can be expensive or unavailable in practice; we observe that certain physical fields can approximate sensitivities through monotone transformations. To formalize this, we introduce \textbf{pseudo-sensitivities} to characterize which fields enable generalization versus those that are information-poor. We then show that a sensitivity-conditioned Bernoulli flow-matching generator empirically confirms these predictions: conditioning on sensitivities yields state-of-the-art OOD performance, while increasingly distant physical fields degrade toward raw parameter conditioning. Results hold across structural TO benchmarks under load shifts and our new CFD-TO dataset under boundary-condition shifts such as multi-outlet configurations. Code and datasets are available at https://tum-pbs.github.io/topotransformer/ .

We consider the black-box optimization problem on a sphere. Two information-geometric optimization flows (IGO flows) are designed with rigorous calculation of natural search gradients based on hyperbolic (information) geometry of Poincar' e and Bergman balls. We demonstrate that ensembles of generalized Kuramoto oscillators on spheres compute natural search gradients and realize IGO algorithms on both manifolds. The relationship between natural gradient policies in Bergman balls and quantum decision making is pointed out.

Sparsifying transformers remains a fundamental challenge, as standard optimizers fail to simultaneously encourage sparsity and maintain training stability. Effective adaptive optimizers exhibit an implicit $L_{\infty}$ bias favoring stability, yet, sparsity requires an $L_1$ bias. To integrate sparsity, we propose a composition of optimizer steps, which we cast as non-commutative operators to analyze and combine their optimization geometry in a principled way. This yields HORST (Hyperbolic Operator for Robust Sparse Training), a modular optimizer that inherits stability from adaptive methods while inducing $L_1$ sparsity bias through a hyperbolic mirror map. Our experiments demonstrate its utility for sparse training of transformers on both vision and language tasks. HORST consistently and significantly outperforms AdamW baselines across all sparsity levels, with large gains at higher sparsity.

Nonlinear inverse problems often trade inexpensive but fragile first-order updates against curvature-aware methods such as Gauss-Newton and Levenberg-Marquardt, which obtain stronger directions by repeatedly solving Jacobian-based linearized systems. We propose a learned alternative: amortize local inverse geometry into a reusable reverse operator. Our framework learns a bidirectional surrogate, Deceptron, and deploys it through D-IPG (Deceptron Inverse-Preconditioned Gradient), an iterative solver that pulls residual-corrected measurement-space proposals back to latent space. The key mechanism is a Jacobian Composition Penalty (JCP), which trains the reverse Jacobian to act as a local left inverse of the forward Jacobian; its runtime counterpart, RJCP, measures the same inverse-consistency error along optimization trajectories. We prove that D-IPG is first-order equivalent to damped Gauss-Newton under local pseudoinverse consistency, with deviation controlled by composition error and conditioning. Across seven PDE inverse-problem benchmarks, D-IPG outperforms standard baselines, achieves 94.8% mean success across the six-problem reliability suite, and reaches comparable or better recovery quality at up to 77x lower inference-time solve cost on the main benchmarks.

Reversible instance normalization (RevIN) and its successors (Dish-TS, SAN, FAN) have become the de facto plug-in for time-series forecasting, yet the map they apply to each data point is strictly affine, $x \mapsto ax+b$, so they cannot reshape the underlying distribution -- heavy tails remain heavy and skewness remains uncorrected. We propose NoRIN, a non-linear reversible normalization based on the arcsinh-form Johnson $S_U$ transform with two shape parameters $(δ,\varepsilon)$ that control tailedness and skewness; the linear $Z$-score used by RevIN is recovered only in the limit $δ\to \infty$. Training $(δ,\varepsilon)$ jointly with the backbone via gradient descent reliably pushes them toward this linear limit within a few epochs -- a phenomenon we name the degeneration problem: the forecasting loss is locally indifferent to shape, and the high-capacity backbone compensates for any monotone reparameterization of its input. NoRIN escapes the degeneration by decoupling shape selection from gradient training: $(δ,\varepsilon)$ are initialized by a closed-form Slifker-Shapiro quantile fit and refined by Bayesian optimization on the validation objective, while the inner training loop is identical to standard RevIN-style training. Across six representative backbones x five real-world datasets x three prediction horizons (90 configurations), decoupled shape optimization recovers $(δ^\star,\varepsilon^\star)$ that sit systematically far from the linear limit, with values that vary in a backbone-dependent way. This empirically supports the central thesis: different backbones genuinely require different normalization parameters to reach their best performance.

Persistence-based topological optimization deforms a point cloud $X \subset \mathbb{R}^d$ by minimizing objectives of the form $L(X) = \ell(\mathrm{Dgm}(X))$, where $\mathrm{Dgm}(X)$ is a persistence diagram. In practice, optimization is limited by two coupled issues: persistent homology is typically computed on subsamples, and the resulting topological gradients are highly sparse, with only a few anchor points receiving nonzero updates. Motivated by diffeomorphic interpolation, which extends sparse gradients to smooth ambient vector fields via Reproducing Kernel Hilbert Space (RKHS) interpolation, we propose a more scalable pipeline that improves both subsampling and gradient extension. We introduce subsampling via random slicing, a lightweight scheme that promotes iteration-wise geometric coverage and mitigates density bias. We further replace the costly kernel solve with a fast Nadaraya-Watson (NW) Gaussian convolution, producing a globally defined smooth update field at a fraction of the computational cost, while being more suited for topological optimization tasks. We provide theoretical guarantees for NW smoothing, including anchor approximation bounds and global Lipschitz estimates. Experiments in $2$D and $3$D show that combining random slicing with NW smoothing yields consistent speedups and improved objective values over other baselines on common persistence losses.

Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate forward analysis but do not close the loop because gradients from objectives to geometry are often unavailable. Existing differentiable methods either rely on restrictive parameterizations or unstable latent optimization driven by scalar objectives, limiting interpretability and part-wise control. To address these challenges, we propose Geometry-Aware Neural Optimizer (\textbf{\textsc{GANO}}), an end-to-end differentiable framework that unifies geometry representation, field-level prediction, and automated optimization/inversion in a single latent-space loop. \textsc{GANO} encodes shapes with an auto-decoder and stabilizes latent updates via a denoising mechanism, and a geometry-informed surrogate provides a reliable gradient pathway for geometry updates. Moreover, \textsc{GANO} supports part-wise control through null-space projection and uses remeshing-free projection to accelerate geometry processing. We further prove that denoising induces an implicit Jacobian regularization that reduces decoder sensitivity, yielding controlled deformations. Experiments on three benchmarks spanning 2D Helmholtz, 2D airfoil, and 3D vehicles show state-of-the-art accuracy and stable, controllable updates, achieving up to +55.9% lift-to-drag improvement for airfoils and ~7% drag reduction for vehicles.

We propose a neural parameterization of convex sets by learning sublinear (positively homogeneous and convex) functions. Our networks implicitly represent both the support and gauge functions of a convex body. We prove a universal approximation theorem for convex sets under this parametrization. Empirically, we demonstrate the method on shape optimization and inverse design tasks, achieving accurate reconstruction of target shapes.

The co-optimization of geometry and physical parameters remains challenging in transient multiphysics systems involving moving boundaries, nonlinear material response, phase transitions, and competing objectives. Existing methods often optimize geometry and physical variables separately, rely on simplified steady-state physics, or require offline data generation and reduced design spaces. Here, we present an end-to-end differentiable co-optimization framework that couples an implicit neural representation of geometry with a JAX-compiled Eulerian multiphysics solver. Geometry is represented as a signed distance field using Fourier-feature-encoded spatial coordinates, while boundary conditions, initial conditions, process controls, and material parameters are optimized within the same differentiable loop. Continuous relaxations represent non-smooth physical transitions while preserving compatibility with reverse-mode automatic differentiation and backpropagation through time. We demonstrate the framework using a transient hamburger-cooking benchmark, selected as an interpretable multiphysics problem rather than a culinary optimization exercise. The benchmark combines conductive and convective heat transfer, latent energy effects, moisture and fat transport, shrinkage-induced geometry evolution, evolving contact boundary conditions, flipping-induced boundary-condition changes, and competing quality objectives. Results show that geometry-only optimization modifies shape to relieve thermal bottlenecks, while joint co-optimization distributes the design response across geometry, material state, process variables, and boundary conditions through gradients propagated over the full transient rollout.

Identity teacher forcing (ITF) enables stable training of deterministic recurrent surrogates for chaotic dynamical systems and has been highly effective for dynamical systems reconstruction (DSR) with recurrent neural networks (RNNs), including interpretable almost-linear RNNs (AL-RNNs). However, as an intervention-based prediction loss (and thus a generalized Bayes update), teacher forcing need not match the free-running model's marginal likelihood geometry. We compare the objective-induced curvatures of ITF and marginal likelihood in a probabilistic switching augmentation of AL-RNNs, estimating ambiguity-aware observed information via Louis' identity. In the switching setting studied here, conditioning on a single forced regime path (as ITF does) inflates curvature, while marginal likelihood curvature is reduced by a missing-information correction when multiple switching explanations remain plausible. In Lorenz-63 experiments, windowed evidence fine-tuning improves held-out evidence but can degrade dynamical quantities of interest (QoIs) relative to ITF-pretrained models.

Wireless localization of permanent magnets enables occlusion-free guidance for medical interventions, yet its practical accuracy is fundamentally limited by two coupled challenges: the poor observability of conventional planar sensor arrays and the simulation-to-reality (Sim-to-Real) gap of learning-based estimators. To address these issues, this article presents a unified framework that combines information-theoretic sensor geometry optimization with physics-aware deep learning. First, a rigorous Fisher Information Matrix (FIM)-based evaluation framework is established to quantify geometry-induced observability limitations. The results show that a staggered split-array topology provides a substantially stronger observability foundation for localization while remaining compatible with practical external deployment. Second, building on this optimized sensing configuration, we propose Phy-GAANet, a calibration-free estimator trained entirely on hardware-aware synthetic data. By incorporating Physics-Informed Features (PIF) for saturation modeling and Geometry-Aware Attention (GAA) for preserving cross-layer vector structure, the network effectively bridges the Sim-to-Real gap. Extensive real-world experiments demonstrate state-of-the-art performance, achieving a position error of 1.84 mm and an orientation error of 3.18 degrees at a refresh rate exceeding 270 Hz. The proposed method consistently outperforms classical Levenberg--Marquardt solvers and generic convolutional baselines, particularly in suppressing catastrophic outliers and maintaining robustness in challenging near-field boundary regions. Beyond the proposed network, the FIM-guided analysis also provides a framework for sensor geometry design in magnetic localization systems under practical deployment constraints.

Shape optimisation of thin-shell structures requires a flexible, differentiable geometric representation suitable for gradient-based optimisation. We propose a neural parametric geometry representation (NRep) for shells based on a neural network with periodic activation functions. The NRep is defined using a multi-layer perceptron (MLP), which maps the parametric coordinates of mid-surface vertices to their physical coordinates. A structural compliance optimisation problem is posed to optimise the shape of a thin-shell parameterised by the NRep subject to a volume constraint, with the network parameters as design variables. The resulting shape optimisation problem is solved using a gradient-based optimisation algorithm. Benchmark examples with classical solutions and comparisons with the free-form deformation method demonstrate that the proposed NRep is capable of representing shell geometries with local geometric features using a small set of network parameters. The robustness of the approach has been demonstrated with different initial geometries, boundary conditions and neural network hyperparameters. The approach also exhibits potential for complex lattice-skin structures, owing to the compact and expressive geometry representation afforded by the NRep.

The L infinity star discrepancy is a measure for how uniformly a point set is distributed in a given space. Point sets of low star discrepancy are used as designs of experiments, as initial designs for Bayesian optimization algorithms, for quasi-Monte Carlo integration methods, and many other applications. Recent work has shown that classical constructions such as Sobol', Halton, or Hammersley sequences can be outperformed by large margins when considering point sets of fixed sizes rather than their convergence behavior. These results, highly relevant to the aforementioned applications, raise the question of how much existing constructions can be improved through size-specific optimization. In this work, we study this question for the so-called Kronecker construction. Focusing on the 3-dimensional setting, we show that optimizing the two configurable parameters of its construction yields point sets outperforming the state-of-the-art value for sets of at least 500 points. Using the algorithm configuration technique irace, we then derive parameters that yield new state-of-the-art discrepancy values for whole ranges of set sizes.

We present an efficient algorithm for uniformly sampling from an arbitrary compact body $\mathcal{X} \subset \mathbb{R}^n$ from a warm start under isoperimetry and a natural volume growth condition. Our result provides a substantial common generalization of known results for convex bodies and star-shaped bodies. The complexity of the algorithm is polynomial in the dimension, the Poincaré constant of the uniform distribution on $\mathcal{X}$ and the volume growth constant of the set $\mathcal{X}$.

In many experimental settings, active learning can improve sample efficiency by sequentially selecting where to measure, which is particularly valuable when experiments are expensive. Gaussian processes with variance-based acquisition criteria are widely used for this purpose, but have two limitations. First, they are observation-independent: their posterior variance depends only on where samples are acquired, not on what is measured, impairing their sensitivity to the structure of the acquired data. Second, they inflate the variance near boundaries, leading to excessive sampling at the edges of the space compared to the interior. These limitations undermine the gains in sampling efficiency expected from sequential acquisition. We address both limitations. We derive a reconstruction-driven design density and use the posterior mean to build a training-free warp that places more measurements where the target function varies rapidly. A geometric equalizer separately corrects boundary bias. Across sixteen synthetic and two real-data benchmarks, the geometric equalizer consistently improves function reconstruction by correcting boundary bias, while the reconstruction warp provides further gains by concentrating measurements where the posterior mean varies rapidly.

Low-rank gradient optimization for large language models is currently divided into two categories: structured methods that rigorously identify subspaces, and randomized approaches employed primarily for computational efficiency. In this work, we question the intuition behind why random projections are effective. We trace this phenomenon to the geometry of the gradient subspaces, which exhibits subspace optimization landscape has a nearly flat curvature, while a significant portion of gradient information lies outside the core subspace. Leveraging these insights, and drawing on randomized linear algebra, we theoretically establish that random low-rank projections preserve the geometry, and we introduce GrassWalk and GrassJump, algorithms that navigate the Grassmannian manifold via random walks and jumps. By coupling this randomized exploration with subspace-aware optimizer and recovering the lost gradient signals, we achieve state-of-the-art results on LLaMA-1B, LLaMA-7B, and Qwen-1.5B pretraining. Our findings reframe randomization not merely as a computational shortcut, but as a geometrically principled approach to high-dimensional optimizations.

Packing objects efficiently is a fundamental problem in logistics, warehouse automation, and robotics. When dealing with highly diverse 3D objects (household or grocery items), closed-form solutions are infeasible, and heuristic or model-free Reinforcement Learning~(RL) methods tend to focus solely on geometric optimization, relying on exhaustive searches of the discretized solution space. This leads to long training times (for pure RL) and high latency (heuristics), limited transferability to robotic scenarios, and ultimately ignores object characteristics (fragility, deformability) and human preferences. We propose HERB, a human-augmented RL framework for packing irregular objects, the first to explore the potential of learning from human demonstrations to solve this complex task. It leverages human demonstrations of packing strategies, which inherently exhibit latent factors such as space optimization, stability, and object properties that are difficult to model explicitly. The human-expert data is combined with RL exploration to provide the placement of each object inside the container. Experimental results show that our method outperforms heuristic, purely RL-based, and imitation learning approaches in packing efficiency and latency. Qualitative results highlight that our packing strategy produces more stable, human-like arrangements, which we expect to be more appropriate and widely accepted. Finally, we demonstrate the real-world feasibility of our method on a robotic system.