Neural Network Optimization

Heavy-tailed empirical spectral densities of neural-network weight matrices are widely used as diagnostics of implicit self-regularization, but the step complexity of heavy-tail emergence remains poorly understood. We formulate spectral heavy-tail formation as a right-censored hitting-time problem: a run that does not reach a heavy-tail diagnostic within the observation horizon is treated as censored rather than discarded. In controlled full-batch teacher--student dynamics, we find that the first-step spike--bulk gap alone does not explain onset time. Instead, finite-onset regression supports a dimension-corrected spectral-gap law, (\tau_{\mathrm{HT}}\approx C\Delta_1^{-\gamma}d^\rho), with (R^2=0.683), (\gamma=0.626), and (\rho=0.772) across 330 completed runs. Right-censored lognormal accelerated-failure-time models further favor the dimension-corrected model over a gap-only model, improving AIC from 706.62 to 628.70. Theoretically, we prove that exact early loss dynamics in linear networks do not determine factor spectral tails, that Adam recurrences alone do not imply spectral redistribution, and that projected singular-basis spreading implies contraction of a spectral-tail potential and hence a dimension-corrected hitting-time bound. Empirically, projected-kernel profiles support the sufficient spreading mechanism, Adam and AdamW agree under tested grids, GD and signGD do not reach onset in the same regimes, and real pretrained Qwen2.5-0.5B and Pythia-70M transformer weights show non-Gaussian spectral-tail structure relative to matched Gaussian nulls. The result is a reproducible spectral hitting-time law with rigorous conditional theory, not a claim that Adam necessarily generates heavy tails from first principles.

We present a direct optimization method for three-dimensional freeform reflectors that transform the light of a finite-étendue source into a prescribed far-field angular intensity distribution. The reflector profile is represented by a small neural network (a multilayer perceptron), which is trained end-to-end through a differentiable ray-tracing objective. We furthermore parameterize the emission directions in gnomonic coordinates, and show how we use this to ensure that every emitted ray intersects the reflector. At each iteration, the network is converted to a bicubic spline representation for ray-tracing efficiency, and intersections with this smooth surface are solved by a damped Newton solve, with gradients computed via the implicit function theorem. The traced output distribution is compared with the desired target on a 'soft' histogram, under an $H^{-1}$-type spectral weighting that emphasizes long-range transport of flux to improve convergence. Optimization is performed using a BFGS method with self-scaled Broyden updates and a plateau-perturbation rule to prevent stalling. The method converges reliably within seconds on a single GPU for all examples tested.

Tensor networks, originally developed for quantum many-body physics, are promising models for machine learning. We derive stochastic Riemannian optimizers for tree tensor networks (TTNs) on both their parameter and quotient manifolds, including adaptive and learning-rate-free schemes suitable for minibatch training. Using a hybrid CNN-TTN architecture, we evaluate the methods on Fashion-MNIST, CIFAR10, and Imagenette. The proposed optimizers achieve predictive performance comparable to unconstrained optimization while enabling numerically stable downstream compression.

Momentum-based optimizers are widely used in modern deep learning, yet the relations among momentum recursion, update geometry, and acceleration remain only partially understood. We develop an $\textbf{A}$DMM-$\textbf{I}$nspired $\textbf{M}$omentum (AIM) framework based on residual-penalty variable splitting, which interprets momentum as a multiplier-like correction driven by the splitting residual. AIM recovers the exponential moving average of gradients from an ADMM-style multiplier update and separates two mechanisms that are usually intertwined in practical optimizers: the residual penalty determines the update geometry, whereas the approximation of the objective-related subproblem determines the acceleration form. Building on AIM, we propose $\textbf{R}$elativistic $\textbf{A}$daptive gradient $\textbf{D}$escent with $\textbf{A}$ccelerated $\textbf{R}$esidual (RADAR), which combines relativistic adaptive geometry, decoupled residual correction, and second-order momentum filtering to improve the update direction and momentum estimation. We establish stochastic convergence through a variance-perturbed Lyapunov drift analysis. Experiments on supervised vision learning, language modeling, and reinforcement learning show that RADAR achieves consistent improvements over strong adaptive optimizer baselines.

A flat training curve does not reveal whether a neural network has reached a global optimum, is locally trapped, is representation-limited, or is mismatched to its trainer. We introduce Training Under Challenge, an executable-certificate framework in which predeclared, architecture-valid procedures construct complete alternatives in the same certified class and reevaluate the same objective. Any lower-valued candidate is a replayable witness that lower-bounds the checkpoint's empirical global-optimality gap. Passing a finite suite is only suite-relative; global-gap conclusions require a separately justified coverage mechanism. We define a resource-indexed challenge-power modulus that characterizes the largest gap compatible with passage. For squared loss, current block-decrease operators make coverage checkable and yield uniform and realized-residual bounds. We prove the converse frontier: without coverage, a first-order ReLU trainer can reach infinitely many exact conditional head optima while converging to a non-global point. On a channel-gated ResNet-18 distillation problem with known optimum, eight internal challenges cover all 240 audited output directions, and realized-residual bounds lie within factors of 1.74--3.02 of the true gap. Paired predictive certificates separate decoder under-use from representation insufficiency, while quantized-denoising studies demonstrate diagnosis, repair, and current-state recertification.

Multi-objective optimization (MOO) has demonstrated significant success in multi-task learning by mitigating task conflicts through gradient manipulation. However, most existing methods flatten model parameters into vectors and perform gradient manipulation under Euclidean geometry, thereby overlooking the matrix structure prevalent in modern architectures such as Transformers. In this paper, we show that gradient manipulation in Euclidean space does not generally yield the steepest descent direction under matrix geometry, potentially limiting optimization efficiency. Drawing from the theory of steepest descent for matrix-valued parameters, we propose MOON (Multi-Objective OrthoNormalized Updates), which performs gradient manipulation under spectral--nuclear norm geometry and uses the orthonormalized manipulated gradient for parameter updates. Theoretically, for smooth non-convex objectives, we establish convergence of the averaged Pareto-stationarity measure at rates of $\mathcal{O}(T^{-1/2})$ in the deterministic setting and $\mathcal{O}(T^{-1/4})$ under stochastic gradients. Empirical results across various benchmarks show that MOON consistently improves both optimization efficiency and final multi-task performance. Our code is available at https://github.com/KunlinLyu/MOON.

In this work we present a method to accelerate the optimization of learning high dimensional functions using deep neural network (DNN). This optimization procedure introduces contextual features into the first layer of a DNN. The parameters of DNN are optimized via standard gradient descent while keeping the input-feature basis fixed. After optimization of the DNN parameters, the feature layer is provided a chance to update and change before DNN optimization resumes. The feature layer has two types of functions: those that can be evaluated quickly in a matrix-free way on the domain (i.e. rank-1 features) and more complex features that must first be decomposed using tensor network (TN) decomposition strategies (tensor features). In particular, we study the effect of adding features which distill pretrained DNN into TNs using a discretize and decompose strategy. To efficiently decompose high-dimensional functions constructed from discretized DNN, we leverage a randomized tensor decomposition strategy. Using randomization, we are able to reduce the storage cost of decomposing high dimensional functions by at least 8 orders of magnitude. Using this approach, we are able to efficiently train models between 5 and 40 dimensions.

Single-optimizer training is a poor fit for the distinct phases of deep network optimization: adaptive methods handle noisy early gradients well but overshoot flat minima, while SGD with momentum generalizes better in the late phase but converges slowly early on. We introduce AOS-R (Adaptive Optimizer Switching, Rule-Based), a lightweight controller that monitors six online gradient-space signals -- gradient noise scale (GNS), Hutchinson curvature trace, loss stagnation, update stability ratio, gradient stability index (GSI), and loss improvement ratio (LIR) -- and switches among AdamW, SGD-M, and Lion as the optimization landscape evolves. State-preserving momentum transfer and a 400-step learning-rate bridge prevent accuracy degradation at every transition point. On CIFAR-100/WRN-28x10, AOS-R reaches 78% top-1 in 81 epochs -- 26% fewer than AdamW (109), 43% fewer than SGD-M (143), and 16% fewer than Lion (96). Across eight model-dataset benchmarks, AOS-R achieves best accuracy on 6 of 8 combinations with a mean +0.4 pp gain and 0.80x convergence speedup over AdamW under a single shared hyperparameter configuration.

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.

We investigate whether symbolic regression can discover explicit neural network weight-update rules that outperform standard hand-designed optimizers on small symbolic regression benchmarks. Candidate update rules are represented as fixed-depth symbolic expressions over operands derived from common optimizers, including gradient, momentum, adaptive-gradient, and moment-estimate quantities. Across 30 benchmark/neural network combinations, the symbolic regression procedure found an update rule outperforming the best hyperparameter-tuned established optimizer in 25 cases, with an aggregate MSE reduction of 44.47% over the improved cases. The discovered rules do not all share a single common symbolic form, but many combine adaptive normalization, momentum-like quantities, nonlinear transformations, and rational expressions. These results suggest that symbolic regression can serve as a lightweight mechanism for discovering compact optimizer variants, while also highlighting the need for larger-scale validation.

Due to the complexity of neural network loss landscapes, optimization theory is forced to rely on idealized models, and there is generally a tradeoff between how theoretically tractable the model is, and how accurately it describes the true optimization dynamics. In this work, we stress test the simplest possible model of optimization -- the quadratic model -- and show that it can be surprisingly predictive in an LLM setting with 150M parameters and 3B training tokens. Specifically, we show that Taylor expanding the model and the loss function at intermediate checkpoints through training can accurately predict the optimization dynamics over windows that can last up to 10% of training. Having established this agreement, we then turn to analyzing the structure of these local quadratic optimization problems through two lenses: the Hessian spectrum and local stability. Using Lanczos quadrature with extremely deep probes, we are able to estimate the Hessian spectrum deep into the tail, and we find a surprising amount of structure in both the eigenvalues and eigenvectors, which depends on the batch size, preconditioner, and training time. We also empirically test local linear stability at intermediate checkpoints and compare it to theoretical predictions to demonstrate that optimization in LLMs typically occurs at a stochastic edge of stability, whose nature is also determined by batch size. Our results indicate the quadratic model may be a theoretically tractable proxy for pretraining optimization dynamics.

Many neural networks operations have a multiplicative nature rather than additive: halving or doubling a norm are analogous relatively but require unequal optimization distances when taking linear steps. Adaptive optimizers such as Adam normalize updates per coordinate, but update steps remain additive; weights with very different magnitudes receive similarly sized absolute changes, producing very different relative perturbations. We introduce \textbf{\method} (\textbf{\methodshort}), a weight reparameterization for neural networks that combines a sign-aware symmetric-exponential pathway with an identity-like linear pathway. The symmetric-exponential pathway is near-linear for small raw weights but increasingly curved at larger magnitudes. Additive updates in logarithmic space map to magnitude-proportional changes in effective weight space. The linear pathway provides a direct route through the transform that we hypothesize stabilizes optimization, while learnable scale, curvature, and offset parameters control balance between pathways and the curvature of the exponential pathway. These components create a curved parameter-space geometry that empirically improves speed of loss descent over standard linear parameterization. We also identify a useful \emph{mismatched initialization}: raw weights are chosen so a symmetric version of the transform matches Xavier statistics, but training uses an asymmetric forward transform that leaves positive weights at full strength while making negative weights smaller in magnitude; in small-model ablations, this improves early optimization and may act as a form of symmetry breaking. We train transformers on OpenWebText over nine width$\times$depth configurations, \methodshort reaches matched validation loss in 1.32--1.49$\times$ fewer training steps, with the largest widths seeing the biggest gains.

This work presents a novel approach for adapting neural network architecture along the depth based on a posteriori error estimation. By formulating neural network training as a continuous-time optimal control problem, we derive rigorous error estimates that quantify how approximation error distributes across network layers. This error decomposition enables a principled depth adaptation strategy: new layers are inserted at locations of maximum estimated error, allowing the network to efficiently capture complex, nonlinear variations in the underlying problem. Our framework introduces a novel network architecture that treats weights and biases as piecewise linear functions varying across layers, with the error estimator bounding the discrepancy between this discrete representation and the true continuous optimal control solution. The approach leverages dual weighted residual methodology from finite element analysis to derive computable upper bounds on the functional error. A key theoretical contribution is the derivation of explicit error bounds that decompose the total approximation error into interval-wise contributions, providing a rigorous basis for targeted architecture refinement. We demonstrate the effectiveness of our method on scientific datasets, including learning the observable-to-parameter map for the Navier-Stokes equation. Numerical results reveal that our approach consistently outperforms existing architecture adaptation methods in terms of generalization performance.

Implicit bias is usually explained as the preference of an optimization process for certain final solutions and their geometry. This view helps explain where a model finally stops. It gives less direct explanation of how this bias is formed during training. This paper proposes a training-time information allocation view. Under this view, optimization forms a writing pattern for error signals across parameter paths, coordinate channels, and sample regions. This paper builds a set of observable allocation diagnostics. These diagnostics include gradient demand, actual update injection, coordinate gain induced by exponential moving averages, channel-level update ratios, and sample-wise loss distributions. To separate training progress from internal allocation, this paper introduces a collapse--persistence analysis. Under matched training loss, if external loss statistics collapse but internal allocation ratios remain separated, then the factor changes the internal allocation of the training signal. Overall, this paper extends the analysis of implicit bias from final-solution geometry to training-time signal allocation. The main claim is that implicit bias is not only reflected by the final solution. It is also reflected by which parameter paths, coordinate channels, and sample regions receive the error signal first and more strongly during training. Based on this view, this paper places different training factors into a unified information-allocation diagnostic framework. The framework gives a mechanism-level explanation of training-time implicit bias. It also provides a basis for future optimization methods that control training progress and signal allocation separately.

Gradient based optimization methods are nowadays the methods of choice for training deep neural networks (DNNs) in artificial intelligence (AI) systems. In practically relevant DNN training problems, one does usually not apply the standard gradient descent (GD) optimization method but instead one employs suitable sophisticated GD optimization methods, which incorporate adaptivity and/or acceleration techniques, such as the famous Adam optimizer. It is a key contribution of this work to provide a general unified convergence analysis for GD optimization methods in the training of DNNs with analytic activations such as the softplus and the popular Gaussian error linear unit (GeLU) activation. Our general unified convergence result applies to a large class of gradient based optimization methods such as the standard GD, the momentum, the Nesterov accelerated gradient (NAG), the RMSprop, the Adam, the Adamax, the Nadam, the Nadamax, the Adan, the AdaBelief, the AMSGrad, and the Yogi optimizers. Our analysis employs the theory of Kurdyka-Łojasiewicz (KL) inequalities to establish convergence to critical points in the training of DNNs. To the best of our knowledge, the generality of our convergence analysis is also just in the special situation of the Adam optimizer a new contribution to the literature on the analysis of AI optimization algorithms.

This paper develops an Optimality-Informed Neural Network (OINN) approach for the energy-optimal, free-final-time powered descent of a lunar lander from any initial position, velocity, and mass within a bounded operating envelope to a fixed landing site with zero terminal velocity. Building on a recent framework that jointly embeds Pontryagin's minimum principle and the Hamilton-Jacobi-Bellman equation for general nonlinear optimal control, the proposed OINN approach specializes that idea to a lunar landing problem with free time of flight and fixed terminal state. Every boundary and transversality condition is hard-encoded into the network architecture by construction, the closed-form Pontryagin-optimal thrust magnitude and direction law is substituted directly rather than learned, and the remaining state, costate, and an auxiliary value-function output are trained against a physics-residual loss formed entirely from the necessary conditions of optimality, with no precomputed optimal trajectories required. A preliminary theoretical analysis is explored, establishing a stochastic-optimization stationarity guarantee for the offline training procedure, an explicit bound translating the achieved training residual into bounds on touchdown position, touchdown velocity, and flight-time error, and a fixed, input-independent onboard computational and memory cost suitable for real-time deployment. Numerical simulations evaluate the trained policy, with no retraining, against an independently solved indirect-method boundary-value problem at six representative initial states spanning the operating envelope and against eighty additional Monte Carlo simulation runs, demonstrating close agreement with the indirect-method solution and consistently small dynamics and transversality residuals throughout the envelope.

Combinatorial optimization (CO) problems are difficult because certifiable discrete structure induces exponential search. One needs to search over the set exponentially many candidates to certify optimality, however, the structural feasibility of a path, packing, or cover can be verified in polynomial time once supplied. In this study, we introduce Neural Certificate Pricing (NCP) that exploits this asymmetry under an unsupervised learning framework. A neural network is trained to predict certificate-level dual prices, while a structured recovery layer constructs the induced primal marginal. NCP can be viewed as amortized separation: instead of enumerating violated inequalities, it learns the residual prices through which their aggregate effect enters recovery. When the certificate-consistency condition holds, the recovered marginal is globally feasible, and a local theory shows that first-order errors in the predicted price induce only second-order loss in objective value. Across three classes of CO problems, NCP either outperforms state-of-the-art neural baselines by large margins or matches them at a fraction of the computation time, and shows stronger out-of-distribution generalization.

Muon has recently emerged as one of the most effective optimizers for training large neural networks, yet its empirical success has been explained from several different perspectives. In this paper, we propose a simple mechanistic interpretation: Muon can be understood as an implicit residual connection during training. Specifically, orthogonalizing the update can sacrifice some immediate gradient fidelity while improving representation preservation for downstream layers. We study this trade-off in controlled linear optimization settings, where Muon can learn representations that are slower to fit a local target but easier for downstream layers to exploit. Our results suggest a conceptual explanation for Muon and a design perspective for optimizers that balance local descent with downstream usability.

Bilevel optimization has become an influential and widely adopted framework for addressing hierarchical optimization problems in machine learning, providing an effective approach to modeling the interaction between two levels of optimization, with applications such as hyperparameter tuning, meta-learning, adversarial training, and data poisoning. Neural Architecture Search (NAS), a subfield of hyperparameter optimization, is a prime example of a bilevel optimization problem, with architecture parameters optimized at the outer-level and network weights optimized at the inner level. This paper presents a structured overview of NAS through the lens of bilevel optimization. We categorize existing NAS approaches into two main classes: sampling-based methods, which search optimal architectures using different architecture samplers, and bilevel theory-based methods, which solve the architecture search problem using bilevel optimization principles. We further highlight our current research direction, wherein the bilevel NAS formulation is addressed through an auxiliary mathematical programming framework. This framework enables the systematic integration of second-order information from the model's training loss function and ensures the optimality of the model parameters while modifying architecture parameters. By simultaneously updating the architecture and model parameters along their respective optimal descent directions derived from the auxiliary mathematical program, these methods achieve more principled and theoretically consistent results. The same auxiliary program can also be used for simultaneous hyperparameter and model fine-tuning. A comparative analysis shows that bilevel theory-based approaches generally outperform sampling-based methods, both in accuracy and efficiency.

Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object. Yet every weight matrix carries two distinct quantities -- a \emph{magnitude} and a \emph{direction} -- and all optimizers stepping in the matrix as a whole couple their dynamics: the directional change from an update depends on the current magnitude, while the magnitude drifts as a byproduct of learning the direction, so neither is governed directly by the learning rate. Typical training therefore leans on surrounding recipes such as weight decay and warmup to keep learning stable at scale, though these regulate the coupling only indirectly; other recent methods instead constrain the weight to a fixed-norm sphere, but add no learnable magnitude, leaving scale control to normalization layers alone. We propose \emph{Magnitude--Direction (MD) Decoupling}, an optimizer modification that factorizes each weight into a fixed-norm direction on a hypersphere and learnable per-row and per-column magnitude gains, updated at separate learning rates, all while the model still sees a single fused weight tensor. The method is agnostic to the base optimizer and removes the need for weight decay and warmup. Across both Adam and Muon, MD Decoupling improves on well-tuned baselines, transfers the optimal LR across model width without retuning, and continues to help at scale on large Mixture-of-Experts (MoE) models. Treating magnitude and direction as separately controlled quantities thus yields more predictable training dynamics and a simple, broadly applicable improvement to modern optimizers.

The traveling salesman problem (TSP) is a canonical NP-hard combinatorial optimization benchmark that tests the representational capacity and generalization of neural solvers. While non-autoregressive (NAR) approaches offer parallel inference, they often lack sufficient geometric inductive bias and stable training signals, leading to degraded performance under cross-scale and cross-distribution shifts. We propose GeoRouteNet, a geometry-enhanced NAR neural solver for Euclidean TSP. On the model side, GeoRouteNet incorporates centered node features, learnable radial distance basis functions, distance-aware graph attention with explicit edge messaging, LayerNorm-SwiGLU feed-forward blocks, and cross-layer attentive residual mixing. On the training side, we design multi-candidate self-comparison reinforcement learning (MCS-RL), which samples multiple candidate tours per instance, constructs adaptive baselines from greedy and peer candidates, and adds winner-candidate guidance with annealed entropy regularization. On 10,000 random TSP50 instances, GeoRouteNet achieves a 0.32% optimality gap under Beam-1000 decoding. On TSP100, the gap is 1.26%. On 27 stratified TSPLIB EUC_2D instances, the overall gap drops from 17.12% (NAR4TSP reproduction) to 3.60%, while batch inference throughput substantially exceeds that of Concorde and LKH3. Ablation studies confirm that geometric structure enhancement and multi-candidate training are complementary: structure improvements dominate cross-distribution gains, while MCS-RL further stabilizes solution quality when paired with a strong geometric encoder.

NeuroEvolution of Augmenting Topologies (NEAT) is a widely used neuroevolution algorithm for learning neural network architectures and weights for control tasks. However, standard offline optimisation searches for connection strengths directly, which can scale poorly in high-dimensional weight spaces and more difficult continuous control problems. Hybrid methods that combine neuroevolution with online learning can address this challenge, but their theoretical properties remain underexplored. This paper gives the first regret analysis for a general NeuroEvolutionary Online Learning (NEOL) framework, which decouples learning into two timescales: an outer loop for architecture search and an inner loop for online weight adaptation via rewardmodulated plasticity. Under mild conditions, we prove that NEOL achieves sublinear regret. Empirically, under fixed interaction budgets on four standard control benchmarks, a NEAT-based NEOL implementation achieves higher final fitness and lower variance than pure NEAT, and is competitive with strong reinforcement learning (RL) baselines on several tasks. The results are supported byWilcoxon rank-sum tests and ablation studies. Overall, the findings show that online plasticity can improve the sample efficiency and robustness of two-timescale neuroevolution. Code is available at https://github.com/boobaa2001/NeuroEvolution Online Learning NEOL.

Modern deep learning optimization features heterogeneous parameter structures, noisy gradients, and highly nonconvex landscapes, posing significant challenges for both algorithm design and theoretical analysis. Motivated by the limitations of SGD and the success of adaptive optimizers, we propose {\it Schattor}, a family of adaptive first-order methods based on Schatten norms. Schattor unifies SGD and the recently proposed matrix-variate adaptive optimizer Muon within a single Schatten-norm-based framework. We establish dimension-free stationarity guarantees for methods in the Schattor family for stochastic matrix optimization problems via a novel matrix martingale moment bound. We also develop multi-block extensions that adaptively balance block-wise optimization progress and prove dimension-free stationarity guarantees in this more general setting.

Neural operators have emerged as a powerful data-driven approach for solving time-dependent PDEs. Among recent advances, memory-augmented neural operators explicitly incorporate past states and have achieved remarkable performance under low-resolution observation settings. However, existing approaches apply a fixed memory weight regardless of observation conditions, such as resolution or physical parameters, limiting their adaptability. Our preliminary experiments reveal that optimal memory weight varies with resolution and viscosity, implying that a fixed memory weight cannot simultaneously optimize performance across diverse settings. We propose AMGFNO, which dynamically modulates memory weight through a learnable gate. On the Kuramoto-Sivashinsky and Burgers' equations, AMGFNO achieves 55-79% nRMSE reduction over at low resolution, with the learned gate value automatically decreasing from $\bar{g} \approx 0.7$ to near-zero as resolution increases.

Weight-space geometry plays a central role in neural network optimization, yet manifold constraints are often applied uniformly across all weight matrices. In this work, we ask whether different transformer modules prefer different manifold geometries. We study Manifold Muon for GPT-2 pretraining and compare layer-wise assignments of Stiefel and DGram constraints across attention and MLP blocks. Our results show a clear asymmetry: constraining attention layers with Stiefel geometry while assigning DGram geometry to MLP layers gives the best performance among the tested configurations, whereas the inverted assignment and all-DGram configuration become unstable under the shared hyperparameter setting. We trace this failure to singular value growth in DGram-constrained attention weights, which can amplify attention logits and induce softmax saturation. These findings suggest that symmetry-aware and geometry-aware optimization for transformers should be module-specific rather than uniform.

Diffractive deep neural networks (D2NNs) promise miniaturized, power-efficient, light-speed optical front-ends for machine vision, yet the most mature demonstrations remain in the terahertz regime, built from readily fabricated millimeter-scale neurons. Translating D2NNs to the visible range, where nearly all vision pipelines operate, was long blamed on the difficulty of fabricating nanoscale neurons; but even after recent advances removed that barrier, visible-range D2NNs matching their terahertz counterparts remain out of reach. We identify the true obstacle as the thin-layer approximation underlying nearly all D2NN training, which treats each diffractive layer as an infinitely thin mask. It fails not because of the short wavelength, as is commonly assumed, but because the low-refractive-index materials (n approximately 1.3-1.5) used at visible wavelengths require relief structures thick enough that intra-layer diffraction and phase accumulation become significant. To overcome this, we introduce a differentiable beam-propagation ($\partial$BPM) layer that models each element as a finite-thickness volume and propagates light through it during training, keeping the fabrication-compatible height map end-to-end trainable without full-wave simulation in the loop. Across MNIST, Fashion-MNIST, and CIFAR-100 classification and imaging, $\partial$BPM training substantially reduces the design-to-device mismatch, and full-wave FDTD validation raises classification accuracy from 50% to 90% without re-optimization. The $\partial$BPM layer thus offers a scalable, physics-aware bridge between efficient optical neural-network optimization and fabrication-consistent diffractive design.

Pre-layout design space exploration (DSE) for high-speed signal integrity (SI) analysis is often limited by the computational cost of simulations and iterative optimization algorithms within modern electronic design automation (EDA) workflows. While machine learning surrogate models accelerate the simulation step, optimizing designs still requires utilizing iterative black-box search methods. This iterative nature scales poorly, making multi-corner sweeps computationally expensive. As a solution, this paper proposes amortized neural optimization (ANO) for pre-layout SI design. ANO entirely eliminates iterative black-box inference by utilizing fully differentiable neural network surrogate models. ANO extracts analytical gradients from the surrogate to train a global optimization policy. Instead of solving the optimization problem repeatedly at inference, the optimization process is learned offline and therefore amortized. Once the ANO policy is trained, it maps different channel contexts directly to near-optimal design parameters in a single deterministic forward pass. The efficiency and accuracy of the ANO framework are demonstrated based on three complex SI design scenarios, including DDR5 decision feedback equalization (DFE), 9-dimensional SerDes Tx/Rx co-equalization, and DDR3 DQS differential pair routing to optimize eye diagram metrics under intra-pair skew constraints. By trading roughly 10% in optimality compared to instance-specific black-box algorithms, it realizes speedups of three to four orders of magnitude. For a large-scale 320,000-instance multi-corner SerDes sweep optimization, ANO collapses what would have taken days of computation using iterative search algorithms into a single batched forward pass that completes in milliseconds. This transforms computationally expensive SI optimization into real-time and interactive pre-layout DSE.

We propose MResOpt, a staged residual neural network architecture for constrained optimization problems. Our architecture fits within predict-complete-correct pipelines and decomposes constraint satisfaction by priority through intermediate re-completion and stage-aware losses. The framework enables domain-informed ordered constraint satisfaction which allows the network to utilize ordinal structure when present. Under an idealized infinite-width regime, we show that our design behaves as sequential Gaussian Process regression. On synthetic QP, QCQP, and SOCP benchmarks, the staged architecture improves high-priority constraint satisfaction across convex and non-convex settings. On line-flow-constrained AC optimal power flow, we introduce a physics-motivated constraint ordering and show that MResOpt supports a learned division of labor that keeps iterates on the equality manifold, achieving substantially lower high-priority violation than reprojected baselines while remaining computationally efficient.

Retrieval systems underpin modern AI applications -- spanning visual search, recommendation engines, and multi-modal question answering. Modern multi-stage retrieval systems require the joint optimization of highly coupled parameters, yet traditional hyperparameter optimization (HPO) methods -- including Tree-structured Parzen Estimators (TPE) and Gaussian Process Bayesian Optimization -- rely on an independence assumption that fundamentally prevents them from navigating these coupled configuration spaces. We address this limitation with a phase-aware large language model (LLM) agent that conditions each proposal on its full optimization history, navigating the coupled parameter space across phase-partitioned exploration, exploitation, and fine-tuning stages. Evaluated on the HICO-DET human-object interaction retrieval benchmark using Intel VDMS (Visual Data Management System), our agent outperforms Optuna TPE by +33.3% and VDTuner by +34.2% under SIEVE (Safeguarded Index Evaluation of Vector-search Efficiency, a quality-constrained throughput metric), delivering a 15.3x throughput gain over UniIR. Validation across three benchmarks confirms that the agent's advantage grows with the degree of parameter coupling: +33.3% on HICO-DET (high coupling), methods converge within 1% on GLDv2 (moderate coupling) and within 3.6% on SIFT1M (near-independent control). Cross-system validation on Milvus confirms the optimizer ranks first on all three datasets without modification, demonstrating transferability across vector database management system (VDBMS) platforms.

The radial basis function neural network (RBFN) trained with a gradient descending algorithm provides an effective fully connected structure in both shallow and deep networks. The error correction (ErrCor), a state-of-the-art gradient-based training method, selects optimal hidden units to improve accuracy. Alternatively, as a population-based algorithm, the particle swarm optimization algorithm (PSO) uses the swarm experience to optimize RBFN parameters, offering global search and robustness to local minima. Adaptive PSO (APSO) has emerged as an improved variant of PSO. APSO algorithm improves convergence speed by dynamically adjusting swarm parameters during optimization. Both ErrCor and PSO demonstrate improved results and competitive convergence. However, with large datasets, these methods face scalability challenges such as excessive kernel computations and large hidden layer structures. A recent multi-column RBFN approach (MCRN) improves ErrCor performance by deploying small RBFNs in a parallel system. Inspired by MCRN's success, we propose two novel approaches to improve PSO performance: the multi-column RBFN with PSO (MC-PSO) and the multi-column RBFN with APSO (MC-APSO). These methods introduce parallel RBFN structures trained using evolutionary swarm methods. Each RBFN is independently trained on a specific spatial subset of the dataset using either PSO or APSO algorithms. These resulting specialist-trained RBFNs are tailored to their respective subsets. During testing, only selected RBFNs, where the test instance neighbors are located, contribute to the multi-column output. This specialization improves accuracy, while parallelism enhances speed. We evaluate the proposed methods on various benchmark datasets. The MC-PSO and MC-APSO outperform ErrCor, PSO, APSO, and MCRN in terms of accuracy and recall. They also demonstrate faster training and testing times in most experiments.

Operations research practitioners typically tackle NP-hard combinatorial problems using large neighborhood search (LNS), a scalable heuristic that iteratively refines a current solution by locally re-optimizing subsets of its variables. In contrast, most existing approaches for integrating combinatorial optimization layers into neural networks still assume access to an exact global solution, which is computationally intractable. We bridge this gap by introducing regularized LNS (RLNS). By regularizing or perturbing local subproblems, we turn the LNS heuristic into an efficient MCMC sampler over the combinatorial set of feasible solutions, with associated Fenchel-Young losses. Under entropic regularization, we prove that RLNS performs exact block Gibbs sampling. Furthermore, adjusting the number of RLNS iterations allows us to interpolate between pseudolikelihood and exact maximum likelihood estimation, for end-to-end learning without global solvers. We demonstrate our approach on $k$-subset selection, generalized assignment, and stochastic vehicle scheduling problems.

The existing optimizers for deep neural networks (DNNs) typically rely on either the $\ell_2$ norm or the $\ell_\infty$ norm, resulting in optimizers that do not adapt well to substantial changes in curvature across parameter dimensions. Generally, the training process of DNNs often exhibits strong curvature anisotropy in the early period, whereas in the later period, the training process of DNNs tends to move toward flatter regions with weaker anisotropy. Particularly, optimizers based on the $\ell_2$-norm are usually dominated by high-curvature directions, restricting updates of optimizers along with lower curvature direction and thus leading to a slower convergence rate. While optimizers based on the $\ell_\infty$-norm are prone to oscillations in flatter regions, due to the coordinate-wise updates of the same magnitude. To address these two extreme cases generated by $\ell_2$ and $\ell_\infty$ norms, we propose a novel $\ell_p$-norm scheme with a dynamical value of $p$ and incorporate it into stochastic gradient descent (SGD) and SGD with momentum (SGDM), leading to two novel optimizers with better generalization performance: ${\ell_p}$-SGD (LPSGD) and ${\ell_p}$-SGDM (LPSGDM). Particularly, the resulting optimizers suppress the dominance of high-curvature directions in the early period by utilizing a large $p$ ($p>2$), followed by a gradual decrease of $p$ toward 2 to enable more stable and refined updates, where the latter process is motivated by the cosine annealing strategy. We establish theoretical guarantees of the resulting algorithms and analyze that both LPSGD and LPSGDM achieve an $O(T^{-1/2})$ convergence rate for the nonconvex setting. Extensive experiments are conducted on benchmark datasets, including CIFAR-10, CIFAR-100, and ImageNet-1K, with multiple DNNs such as VGG-11, ResNet-18, and ResNet-50.

Deep learning optimization relies heavily on the assumption of smooth loss landscapes, a condition systematically violated by modern architectures due to non-smooth components such as ReLU activations and quantization operators. In such non-smooth regimes, adaptive optimizers such as Adam suffer from gradient chattering, violent oscillations caused by conflicting signals within the Clarke subdifferential, leading to poor convergence and suboptimal generalization. To address this, we introduce Singularity-aware Adam (S-Adam), a novel optimizer that stabilizes training by dynamically modulating step sizes based on local geometric instability. Our key contribution is the Local Geometric Instability (LGI) metric, a computationally efficient estimator of the Clarke subdifferential diameter derived from the variance of randomized directional derivatives. S-Adam incorporates an adaptive damping mechanism exp(-λ$$ρ) that decelerates updates in high-instability regions while preserving fast convergence in smooth basins. We provide a rigorous convergence analysis using differential inclusions, proving that S-Adam converges almost surely to ($δ$,$ε$)-Clarke stationary points at the optimal O(1/$\sqrt(T)$) rate. Empirical evaluations on Quantization-Aware Training (QAT) and high-noise small-batch learning demonstrate that S-Adam consistently outperforms AdamW and Prox-SGD, achieving accuracy gains of up to 6 percent on CIFAR-100 and 3 percent on TinyImageNet while effectively mitigating gradient oscillations.

Reinforcement learning with verifiable rewards improves language model reasoning, but its reliance on domain-specific verifiers, sparse outcome rewards, and coarse-grained credit assignment limits its applicability. We introduce GeneralThinker, an on-policy framework that reformulates reasoning supervision as dense answer-conditioned optimization, enabling response-level evaluation and token-level credit assignment without domain-specific verifiers. GeneralThinker evaluates generated reasoning trajectories using the likelihood of the ground-truth answer and derives token-wise compatibility signals for fine-grained credit assignment. To stabilize optimization, it constrains token-level updates through clipping and direction-preserving modulation. Across 11 benchmarks spanning mathematics, STEM, and general reasoning, GeneralThinker achieves the best average performance. Further analyses show that uncontrolled token-level modulation can destabilize training, whereas controlled modulation makes fine-grained credit assignment consistently effective.

Equivariant neural networks encode geometric symmetries by construction, yet they are often difficult to optimize and can underperform less constrained architectures. A growing body of work addresses this through architectural modifications such as constraint relaxation or approximate equivariance, while the role of the optimizer remains comparatively underexplored. We study this direction by comparing Muon and Adam across several equivariant and geometric architectures under pointcloud and molecular learning settings. On ModelNet40, where the comparison is clearest, Muon consistently improves over Adam across all architectures considered. We then analyze the trained ModelNet40 checkpoints through Hessian estimates, loss surface visualizations, and spectral properties of learned weights and intermediate representations. The checkpoints reached by Muon have larger Hessian curvature summaries but more regular loss surfaces, and their learned weights and representations have higher stable and effective ranks. These observations suggest that the interaction between optimizer design and geometric inductive bias deserves further attention from the community.

Dynamic Sparse Training (DST) methods train neural networks by maintaining sparsity while dynamically adapting the network topology. Despite the promise of reduced computation, DST methods converge significantly slower than dense training, often requiring comparable training time to achieve similar accuracy. We demonstrate both analytically and empirically that Batch Normalization (BN) adversely affects sparse training, and propose SparseOpt, a sparsity-aware optimizer, to address this. Experiments on ResNet models across CIFAR-100 and ImageNet demonstrate consistently faster convergence and improved generalization with our proposed method. Our work highlights the limitations of current normalization layers in sparse training and provides the first systematic study of the interaction between Batch Normalization, sparse layers, and DST, taking a significant step toward making DST practically competitive with dense training.

The Neural Tangent Kernel (NTK) framework explains optimization in over-parameterized neural networks via approximately linearized dynamics, yielding exponential convergence guarantees. However, existing results are often overly pessimistic and do not match the fast training in practice, as they depend on the smallest NTK eigenvalue, which is typically extremely small in practice. In this work, we develop sharper convergence guarantees by characterizing the interaction between data labels and the NTK eigen-spectrum. We identify two key phenomena, Label-NTK alignment and Residual-NTK alignment, showing that projections of labels and residuals onto NTK eigenvectors scale with the corresponding eigenvalues. We provide empirical evidence and theoretical justification under mild data assumptions. Exploiting these alignment properties, we derive a refined convergence bound that depends on the full spectrum and closely matches practical training dynamics, significantly improving over classical worst-case results. We further obtain improved generalization bounds. Experiments on MLPs and CNNs across multiple datasets validate our theory.

Despite the central role of optimization in deep learning, most optimizers rely on update structures whose functional form is fixed before training begins. This static design can limit their ability to respond to changing gradient behavior across the loss landscape, where training may shift between stable, noisy, and inconsistent regimes. This study proposes PILOT (Policy-Informed Learned OpTimizer), an online optimizer that adapts its update behavior during training. Rather than using a fixed balance between momentum, normalization, and sign-based updates, PILOT uses gradient-direction agreement as a signal of local training stability. Conditioning the update rule on this agreement signal allows the optimizer to adjust its behavior when gradients become stable, noisy, or inconsistent. Experiments on FashionMNIST and CIFAR-10 show that PILOT consistently achieves the highest accuracy among the evaluated optimizers across convolutional settings. On the CNN architecture, PILOT reaches 94.13% on FashionMNIST and 81.94% on CIFAR-10. On ResNet-18, it further improves performance, reaching 95.71% on FashionMNIST and 93.42% on CIFAR-10. These results suggest that learning how to adapt the update structure during training can improve performance across both compact and deeper convolutional models while preserving a simple first-order optimization framework. The implementation of PILOT is publicly available at https://github.com/SattamAltwaim/PILOT.git

Input-convex neural networks (ICNNs) are widely used for log-concave density estimation, convex-potential normalizing flows, optimal transport, and transport-map inversion for high-dimensional Bayesian posteriors. These tasks share a structural constraint: the inter-layer weights of the ICNN must remain non-negative. The standard recipe, projected gradient descent (PGD) onto the non-negative cone, applies a hard, non-smooth projection -- the stiff-penalty limit of an ADMM-style constraint splitting -- and its classical convergence guarantees do not transfer to the non-smooth ICNN training landscape; the differentiable alternative, softplus reparametrization, attenuates the gradient exponentially in the weight magnitude, stalling training with dead inter-layer weights and plateaued loss. Inspired by parameter-extension lifts of PDE-constrained inverse problems, we propose the lift: instead of constraining the inter-layer weights directly, we train an unconstrained hypernetwork that emits them from a permutation-invariant summary of the input batch. This adds stochasticity to the training dynamics that softens the loss landscape, letting the iterates escape the gradient-attenuated region where direct softplus stalls. We trace this softening to three structural ingredients -- a learnable bias acting as slack, a hypernetwork body that conditions on the target batch, and a cross-covariance coupling the two through batch stochasticity -- and prove each one necessary: deleting any single ingredient collapses the cross-covariance that carries the softening. On log-concave energy-based modeling from one-dimensional toy targets to image-flavored latents, and convex-potential normalizing flows on a 21-dimensional tabular benchmark, we show that the lift reaches a lower test loss than both PGD and direct softplus, and turns a plateau-bounded training trajectory into a valley-descending one.

RaNNDy is a randomized neural network architecture for the data-driven approximation of transfer operators associated with complex dynamical systems. The weights and biases of the hidden layers of the network are randomly initialized and kept fixed, only the output layer is trained. This has several advantages over fully optimized neural networks, notably a closed-form solution for the output layer and significantly lower training costs. Despite these advantages, RaNNDy is restricted to the initial selection of weights and biases that parametrize the basis functions required for the operator approximation. Since the basis functions are determined by the activation function, choosing an appropriate activation function for the hidden layers is crucial. In this work, we propose an algorithm that optimizes the activation function itself, while keeping the weights and biases in the randomized neural network fixed, providing a more suitable dictionary. We illustrate the efficacy of the approach using various benchmark problems, including stochastic differential equations and random walks on graphons.

Training instabilities in deep networks - loss spikes, oscillatory convergence, and gradient pathologies - are empirically prevalent but lack a rigorous operator-theoretic explanation. We show that the linearized update operators for practically used optimizers are generically non-normal: for Adam, non-normality is controlled by the commutator [H, M] between the Hessian and the diagonal adaptive preconditioner, while for SGD with momentum it arises from the augmented state-space structure of the update map. Applying non-normal stability theory to these operators, we derive a conservative pseudospectral precursor bound in which κ(V) serves as an early-warning indicator of transient amplification even when the spectral radius remains below one, and we establish that exceptional points of the update operator appear as the κ(V) -> \infty limiting case of this framework. Numerical experiments on two-layer networks confirm that the spectral radius ρ(J) provides no separation between stable and unstable training phases while κ(V) separates them by approximately one order of magnitude, complementing the classical sharpness criterion with a continuous severity measure of non-normal amplification. These results establish non-Hermitian operator theory as a useful and underexplored framework for neural network optimization stability, offering a diagnostic language and proof-of-concept benchmark for understanding adaptive optimization stability.

Existing neural solvers for Multi-Objective Combinatorial Optimization Problems (MOCOPs) commonly adopt decomposition-based strategies that scalarize an MOCOP into multiple subproblems associated with distinct weight vectors. However, they either inject weights only once during decoding, limiting weight-conditioned context modeling, or primarily during encoding, causing weight-signal dilution during decoding. Moreover, preference optimization methods rely on purely random sampling to construct solution pairs for training solvers, which often produces less informative pairs and thus leads to low training effectiveness. To better address these limitations, we propose an efficient Weight-Conditioned neural solver (WeCon). Specifically, we design an encoder layer with three attention blocks and our proposed Gated Residual Fusion (GRF) block to facilitate harmonious interaction between instance features and weights, thereby generating informative weight-conditioned context. We further introduce a plug-and-play Residual Fusion (RF) block in the decoder to alleviate weight-signal dilution. Finally, we propose Efficient Preference Optimization (EPO), which constructs high-quality solutions, thereby generating more informative pairs to improve training effectiveness. Experiments on four MOCOP variants across different problem scales and distribution patterns demonstrate that WeCon achieves HyperVolume (HV) values comparable to SOTA solver POCCO-W, while reducing inference time by 40%. Ablation studies validate the contributions of all designs.

Training very deep neural networks requires controlling the propagation of magnitudes across depth. Without such control, activations and gradients may vanish, explode, or enter unstable regimes that make optimization fail. Modern architectures often mitigate this problem through Batch Normalization, residual connections, or other normalization layers, which repeatedly re-scale or bypass intermediate representations. However, these mechanisms are not always appropriate. In Physics-Informed Neural Networks (PINNs), the network represents a continuous physical field and its input derivatives define the training objective, making batch-dependent normalization problematic because it can introduce non-local dependencies into the predicted field and its derivatives. We propose StableGrad, an optimizer-level scale-control mechanism that corrects layer-wise weight-gradient imbalances without modifying the forward model. Because the normalization is applied only after backpropagation and before the optimizer update, the network output, its derivatives, and the physical residual remain unchanged. We analyze the effective training dynamics induced by this rescaling and evaluate StableGrad on deep PINNs as the target application, with BatchNorm-free convolutional networks serving as a diagnostic stress test. On PINN benchmarks, StableGrad improves matched-depth solution accuracy and makes deeper models more reliable under standard optimization. On ResNet and EfficientNet architectures, where removing Batch Normalization normally leads to training collapse, StableGrad stabilizes optimization without introducing any other architectural change. These results show that optimizer-level control of weight-gradient scale can provide a practical alternative when forward normalization is unavailable or undesirable.

A growing lesson from neural network optimization is that optimizer design should respect how the model is parametrized. The layerwise input-output structure of neural networks motivates scale-invariant optimizers, such as Muon and Scion, whose updates also support hyperparameter transfer. At the same time, stochastic gradient noise in deep learning is often far from sub-Gaussian and may exhibit heavy tails. These observations have shaped recent algorithmic principles for training neural networks, yet their joint theoretical consequences are underexplored. In particular, it remains unclear what dimension dependence is unavoidable for gradient-based methods given the problem class is defined by input-output norm and under heavy-tailed noise, and whether higher-order smoothness can accelerate training. We study these questions through nonconvex smooth stochastic optimization over $\mathbb R^{m\times n}$ equipped with general norms and under $p^\mathrm{th}$-moment heavy-tailed noise, where the goal is to achieve an $ε$-stationary point in the dual norm. Our first contribution is a dimension-dependent lower bound: when $\frac{\max\{m,n\}}{(\min\{m,n\})^2}$ is large enough, any gradient-based method requires $Ω(\min\{m, n\}ε^{-\frac{3p-2}{p-1}})$ oracles for the problem class defined by the spectral norm, which is a common input-output norm. We prove that a scale-invariant Scion method with the spectral norm can achieve the matching upper bound of $O(\min\{m, n\}ε^{-\frac{3p-2}{p-1}})$. To exploit higher-order smoothness, we propose a transported Scion method and improve the bound to $O(\min\{m, n\}ε^{-\frac{5p-3}{2p-2}})$ when the Hessian is Lipschitz. Finally, we incorporate heuristics into our transported method and evaluate it across multiple architectures and model sizes, demonstrating its flexibility and compatibility with neural network training.

Training deep neural networks at scale can benefit from domain decomposition, where the network is split into subdomains trained in parallel and coupled by a global trust-region mechanism. Building on the Additively Preconditioned Trust-Region Strategy (APTS), we propose a non-monotone variant with a nonlinear additive Schwarz preconditioner that combines parallel subdomain corrections with global coarse-space directions. A windowed acceptance criterion allows controlled objective increases, avoiding needless rejection of effective coarse steps. The resulting non-monotone APTS (NAPTS) preserves accuracy while reducing CPU time by 30% and cutting rejected steps to one third of those in APTS.

In production Wide-Area Networks (WANs), correlated failures dominate availability losses, forcing operators to reserve large safety margins that leave substantial capacity underutilized. Achieving high utilization under strict availability targets therefore requires risk-aware Traffic Engineering (TE) over dozens to hundreds of probabilistic failure scenarios-yet solving this problem at operational timescales remains elusive. We demonstrate that existing risk-aware formulations can be unified under an embedded Sort-and-Select structure, exposing a fundamental trade-off between expressiveness and tractability: classical optimizers either restrict scenario selection for efficiency or incur prohibitive decomposition costs. While deep learning appears promising, prior Deep TE methods mainly target maximum link utilization and rely on scaling-based feasibility, which fundamentally breaks under explicit capacity constraints and scenario-dependent risk. We present NeuroRisk, a physics-informed deep unrolled optimizer that exploits the structure of Sort-and-Select. NeuroRisk enforces feasibility via gated edge-local reservations and represents scenario sets through permutation-invariant, gradient-aligned cues. Evaluations on production-style WANs show that NeuroRisk achieves small optimality gaps relative to the solver with orders of magnitude speedup $(10^2- 10^5 \times)$ on risk objectives, while outperforming neural baselines on nominal throughput.

We propose an implicit neural formulation of optimal transport that eliminates adversarial min--max optimization and multi-network architectures commonly used in existing approaches. Our key idea is to parameterize a single potential in the Kantorovich dual and reformulate the associated c-transform as a proximal fixed-point problem. This yields a stable single-network framework in which dual feasibility is enforced exactly through proximal optimality conditions rather than adversarial training. Despite the inner fixed-point computation, gradients can be computed without differentiating through the fixed-point iterations, enabling efficient training without requiring implicit differentiation. We further establish convergence of stochastic gradient descent. The resulting framework is efficient, scalable, and broadly applicable: it simultaneously recovers forward and backward transport maps and naturally extends to class-conditional settings. Experiments on high-dimensional Gaussian benchmarks, physical datasets, and image translation tasks demonstrate strong transport accuracy together with improved training stability and favorable computational and memory efficiency.

Physics-informed neural networks (PINNs) are a promising approach for solving partial differential equations (PDEs). Their training, however, is often difficult because multiple loss terms induced by PDE residuals and boundary or initial conditions must be optimized simultaneously. To address this difficulty, existing approaches often construct update directions by explicitly enforcing particular desirable properties, such as scale robustness and simultaneous descent. While effective in many cases, such property-by-property designs can make it unclear which conditions are essential, what geometric principle determines the selected update direction, and how different methods are structurally related. In this work, we formulate update-direction selection for PINN training as a Chebyshev-center problem in the dual cone. The proposed formulation selects a normalized direction that maximizes the minimum distance to the cone facets. The resulting formulation admits an efficient dual problem in a much lower-dimensional space and yields a convergence guarantee in the nonconvex setting. It also recovers the key desirable properties targeted by existing approaches without imposing them separately; rather, they follow from the single geometric criterion underlying the formulation. This makes the selected direction interpretable through a single geometric rule and provides a unified basis for systematically comparing related direction-selection methods. Experiments on several PINN benchmarks further demonstrate strong empirical performance of the proposed method.

The Linear Assignment Problem is a fundamental combinatorial optimization task where classical exact solvers ensure optimality but suffer from an $\mathcal{O}(N^{3})$ bottleneck, while recent neural approximations struggle with scalability and exactness. We propose a learning-augmented framework that accelerates exact solvers by predicting dual variables to warm-start the search, backed by a fallback mechanism to preserve worst-case guarantees. Central to our approach is RowDualNet, a lightweight, row-independent architecture that avoids the $\mathcal{O}(N^{2})$ memory bottleneck of graph models, enabling scalable neural warm-starting up to $N=16{,}384$. Feasibility is guaranteed by construction via the Min-Trick mechanism, completely eliminating the need for costly iterative projections. Empirically, our method drastically reduces the search effort of the Jonker-Volgenant (LAPJV) algorithm, yielding robust zero-shot generalization with strict optimality and end-to-end speedups of over 2x on complex synthetic data, 1.25x on real-world tracking, and 1.5x on transportation networks.

Physics-informed neural networks (PINNs) provide a flexible framework for solving forward and inverse problems governed by partial differential equations (PDEs), but standard PINN training typically relies on soft penalty formulations that combine PDE residuals, data mismatch, and initial/boundary conditions using manually chosen weights. This often leads to ill-conditioning, sensitivity to loss weights, and poor constraint satisfaction. In this work, we reformulate PINN training as an equality-constrained optimization problem and propose a novel Adaptive Momentum Feedback Linearization Optimization for Hard Constrained PINN (AdamFLIP). The key idea is to view the constraint residuals as the output of a controlled dynamical system and to compute the Lagrange multiplier as a feedback input that locally drives these residuals toward stable linear contraction dynamics. AdamFLIP then applies Adam-style first- and second-moment adaptation to the resulting feedback-linearized Lagrangian gradient, combining principled constraint handling with the scalability and robustness of adaptive neural-network optimization. We test AdamFLIP on a range of benchmark forward and inverse PDE problem, and it consistently outperforms both the standard soft-constrained PINN and state-of-the-art constrained optimizers. Specifically, on the Navier--Stokes equations benchmark, AdamFLIP \textbf{reduces relative $L_2$ error by more than two thirds} for the predicted solution compared to the next best method. Our AdamFLIP framework provides an effective and computationally scalable hard constraint optimization method for PINN training.

Most first-order optimizers treat matrix-valued parameters as vectors, ignoring the intrinsic geometry of hidden-layer weights in neural networks. Muon addresses this mismatch by updating along the polar factor of a momentum matrix, but its theoretical understanding has lagged behind practice. In particular, practical implementations incorporate Nesterov momentum, compute the polar factor only approximately, and operate with stochastic gradients that may be heavy-tailed. We close this gap by developing a convergence theory for Muon with Nesterov momentum and inexact polar decomposition in non-convex matrix optimization under heavy-tailed noise. Our analysis builds on a unified framework for inexact polar decomposition that captures practical iterative approximations such as Newton-Schulz and quantifies how their errors propagate through the optimization dynamics. Under this framework, we establish an optimal iteration and sample complexity of $O \left(\varepsilon^{\frac{-(3α-2)}{(α-1)}} \right)$ for finding an $\varepsilon$-stationary point, where $α\in(1,2]$ denotes the heavy-tail index. For the inexact-polar setting with $σ_1=0$, we also provide guarantees that do not require prior knowledge of $α$. We analyze a randomized low-rank polar decomposition that is substantially more efficient than full-space methods while remaining compatible with our theory. Numerical experiments further demonstrate the effectiveness of the proposed inexact and randomized variants.

We identify and formalize an underexplored phenomenon in deep learning optimization: directional alignment and loss convergence can be decoupled. An optimizer can exhibit near-perfect directional consistency (cc_t -> 1, measured via consecutive gradient cosine similarity) while the loss remains high or decreases slowly. This observation reveals that existing optimizers such as Adam, SGD, and RMSprop lack explicit mechanisms to exploit temporal consistency in gradient directions, relying instead on magnitude-based signals that fail to distinguish plateaus, saddle points, and genuine convergence. Motivated by this, we introduce GONO (Gradient-Oriented Norm-Adaptive Optimizer), which adapts Adam's momentum coefficient beta_1 based on cc_t: amplifying momentum under directional consistency and suppressing it during oscillation. We prove GONO matches Adam's O(1/sqrt(T)) convergence rate and reduces exactly to Adam when the signal is uninformative. Empirically, cc_t achieves oscillation detection with F1=1.00 (vs. 0.45 for gradient norm), and GONO remains competitive with AdamW on MNIST (98.15%), CIFAR-10 (43.14%), and ResNet-18 (75.44%), establishing directional alignment as a theoretically grounded, practically actionable optimization signal. Code: https://github.com/victordaniel/gono-optimizer

Strichartz inequalities are a cornerstone of the modern theory of dispersive PDEs, but their extremizers are known explicitly only in a handful of sharp cases. The non-convexity of the underlying functional makes the problem hard, and to our knowledge no systematic numerical attack has been attempted. We propose a simple neural-network-based pipeline that searches for extremizers as critical points of the Strichartz ratio, and apply it in three settings. First, on the Schrödinger group we recover the Gaussian extremizers of Foschi and Hundertmark--Zharnitsky in dimensions $d=1,2$ to within $10^{-3}$ relative error, with no analytical prior. Second, on $59$ further admissible pairs in $d=1$ where the answer is conjectural, the method consistently finds Gaussians, supporting the conjecture that Gaussians are the universal extremizers in the admissible range. Third, on the critical Airy--Strichartz inequality at $γ=1/q$, where existence is open, the optimization does not converge to any $L^2$ profile: instead, the iterates organize themselves as mKdV breathers $B(0,\cdot;α,1,0,0)$ with growing internal frequency $α$, and the discovered ratio approaches the Frank--Sabin universal lower bound $\widetilde A_{q,r}$ from below with a power-law gap $\simα^{-0.9}$. We confirm the same picture with an independent Hermite-basis ansatz. We propose a precise conjecture: the supremum equals $\widetilde A_{q,r}$ and is approached, but not attained, along the breather family. The pipeline thus serves both as a validator on known cases and as a discovery tool when no extremizer exists.

Geometry-aware optimizers such as Newton and natural gradient can improve conditioning in deep learning, but scalable variants such as K-FAC, Shampoo, and related preconditioners usually impose structural approximations early, often discarding cross-layer interactions induced by the network computation. We introduce Layerwise LQR (LLQR), a framework for learning structured inverse preconditioners under a global layerwise optimal-control objective. The starting point is an exact equivalence: the steepest-descent step under a broad class of divergence-induced quadratic models--including Newton, Gauss-Newton, Fisher/natural-gradient, and intermediate-layer metrics--can be written as a finite-horizon Linear Quadratic Regulator (LQR) problem. This formulation serves as a reference that exposes the layerwise dynamics and cost matrices encoding the original dense geometry. We then derive a scalable relaxation that learns diagonal, (E-)Kronecker-factored, or other structured inverse preconditioners by minimizing the LQR objective and reusing them across iterations. The resulting optimizer wraps standard methods while retaining a principled connection to second-order geometry, without forming or inverting the global curvature matrix. Experiments on ResNets and Transformers show that LLQR improves optimization dynamics and often translates these gains into improved final test performance, while adding only modest wall-clock overhead. It establishes LLQR as a practical framework for geometry-aware second-order methods and a reference for evaluating scalable approximations.

Nonlinear Parametric Optimization Network (NLPOpt-Net) is an unsupervised learning architecture to solve constrained nonlinear programs (NLP). Given the structure of an NLP, it learns the parametric solution maps with guaranteed constraint satisfaction. The architecture consists of a backbone neural network (NN) followed by a multilayer ($k$-layered) projection. While the NN drives toward optimality through a loss function consisting of a modified Lagrangian augmented with a consistency loss, the projection ensures feasibility by projecting the NN predictions in the original constraint manifold. Instead of typical distance minimization, our projection exploits local quadratic approximations of the original NLP. Under certain conditions (such as convexity), the projection has a descent property, which improves the NN predictions further. NLPOpt-Net deploys an inversion-free, modified Chambolle-Pock algorithm to solve the constrained quadratic projections during the forward pass and uses the implicit function theorem for efficient backpropagation. The fixed structure of the projection further allows decoupling of the NN and the projection once the training is complete. NLPOpt-Net solves large-scale convex QP, QCQP, NLP, and nonconvex problems with near zero optimality gap and constraint violations reduced to machine precision. Additionally, it provides near accurate prediction of the active sets and corresponding dual variables, thereby enabling a scalable approach for multiparametric programming. Compiling the projection in C provides order of magnitude improvement in inference time compared to JAX. We provide the codes and NLPOpt-Net as a ready to use package that includes GPU support.

Semidefinite programs (SDPs) are a powerful framework for convex optimization and for constructing strong relaxations of hard combinatorial problems. However, solving large SDPs can be computationally expensive, motivating the use of machine learning models as fast computational surrogates. Graph neural networks (GNNs) are a natural candidate in this setting due to their sparsity-awareness and ability to model variable-constraint interactions. In this work, we study what expressive power is sufficient to recover optimal SDP solutions. We first prove negative results showing that standard GNN architectures fail on recovering linear SDP solutions. We then identify a more expressive architecture that captures the key structure of SDPs and can, in particular, emulate the updates of a standard first-order solver. Empirically, on both synthetic and \textsc{SdpLib} benchmarks of various classes of SDPs, this more expressive architecture achieves consistently lower prediction error and objective gap than theoretically weaker baselines. Finally, using the learned high-quality predictions to warm-start the first-order solver yields practical speedups of up to 80%.

Optimization algorithms are fundamental to modern deep learning, yet most widely used methods rely on update rules based primarily on local gradient statistics. We introduce NeuroPlastic, a plasticity-modulated optimizer that augments gradient-based updates with an adaptive multi-signal modulation mechanism inspired by multi-factor synaptic plasticity, a concept from neurobiology. NeuroPlastic dynamically scales gradient updates using interacting components that capture gradient, activity-like, and memory-like statistics, forming a lightweight modulation layer compatible with standard deep learning training pipelines. Across image classification benchmarks, NeuroPlastic consistently improves over a controlled gradient-only ablation, with more pronounced gains on the Fashion-MNIST benchmark and in reduced-data regimes. In transfer experiments on CIFAR-10 with ResNet-18, the method remains stable and competitive without retuning. These results suggest that multi-signal plasticity-inspired modulation can provide a useful extension to conventional gradient-driven optimization, particularly when learning signals are limited or noisy, and offer a promising direction for gradient-based methods in deep learning.

Overparameterization is central to the success of deep learning, yet the mechanisms by which it improves optimization remain incompletely understood. We analyze weight-space symmetries in neural networks and show that overparameterization introduces additional symmetries that benefit optimization in two distinct ways. First, we prove that these symmetries act as a form of diagonal preconditioning on the Hessian, enabling the existence of better-conditioned minima within each equivalence class of functionally identical solutions. Second, we show that overparameterization increases the probability mass of global minima near typical initializations, making these favourable solutions more reachable. These results offer a potential link between loss landscape geometry and simplicity bias. Empirically, we observe wider networks have lower top eigenvalues, smaller condition numbers and faster convergence, matching our analysis. Our analysis provides a unified framework for understanding overparameterization and width growth as a geometric transformation of the loss landscape.

This paper investigates the deep learning optimization problem with softmax cross-entropy loss. We propose a layer separation strategy to alleviate the strong nonconvexity encountered during training deep networks. For cross-entropy models with fully connected and convolutional neural networks, we introduce auxiliary variables associated with hidden layer outputs and construct corresponding layer separation models, which decompose the original deeply nested optimization problem into a sequence of more manageable subproblems. We also conduct theoretical analyses, proving that the new layer separation loss provides an upper bound for the original cross-entropy loss. Moreover, we design alternating minimization algorithms and prove that, under appropriate conditions, these algorithms exhibit decreasing properties of the loss function. Numerical experiments validate the effectiveness of the proposed methods and indicate improved optimization behavior, especially for fully connected and convolutional neural networks.

Neural representations (NRs), such as neural fields and 3D Gaussians, effectively model volumetric data in computed tomography (CT) but suffer from severe artifacts under sparse-view settings. To address this, we propose DiffNR, a novel framework that enhances NR optimization with diffusion priors. At its core is SliceFixer, a single-step diffusion model designed to correct artifacts in degraded slices. We integrate specialized conditioning layers into the network and develop tailored data curation strategies to support model finetuning. During reconstruction, SliceFixer periodically generates pseudo-reference volumes, providing auxiliary 3D perceptual supervision to fix underconstrained regions. Compared to prior methods that embed CT solvers into time-consuming iterative denoising, our repair-and-augment strategy avoids frequent diffusion model queries, leading to better runtime performance. Extensive experiments show that DiffNR improves PSNR by 3.99 dB on average, generalizes well across domains, and maintains efficient optimization.