Constrained Optimization

Traditional variance reduction methods (e.g., SPIDER, SARAH, STORM) have been extensively investigated for improving the convergence rates of stochastic optimization. These techniques typically maintain a sequence of estimators for a single function (or gradient) across iterations. However, what if we need to track multiple functions, but can only access stochastic samples of $\mathcal{O}(1)$ functions at each iteration? This scenario arises in an important emerging family of finite-sum coupled compositional optimization (FCCO) problems of the form $\frac{1}{m}\sum_{i=1}^m f_i(g_i(\mathbf{w}))$, where each $g_i$ is accessible only through a stochastic oracle. The key challenge is to track $\mathbf g(\mathbf{w})=(g_1(\mathbf{w}), \ldots, g_m(\mathbf{w}))$ over time, where $\mathbf g(\mathbf{w})$ has $m$ blocks but only $\mathcal{O}(1)$ blocks can be probed for their stochastic values at each step. To address this challenge, we propose a novel Multi-block-Single-probe Variance Reduction (MSVR) estimator to efficiently trace $\mathbf g(\mathbf{w})$ under partial block sampling. Building on the MSVR estimator, we develop several algorithms for FCCO problems, achieving improved sample complexities for non-convex, convex, strongly convex, and Polyak-Łojasiewicz (PL) objectives. We further obtain an improved dependence on $m$ when the outer function gradients $\nabla f_i$ are linear. Empirical studies on multi-task deep AUC maximization further demonstrate the superior performance of the proposed estimators.

We introduce GenOR-Twin, a neuro-symbolic framework that bridges the translation gap between unstructured operational logs and rigorous mathematical optimization. Our architecture uniquely positions Large Language Models as semantic translators rather than direct solvers, ensuring that the system retains the feasibility guarantees of exact combinatorial methods. { \color{red}We design a dynamic constraint injection mechanism (the runtime translation of qualitative disruption events into formal mathematical constraints) that allows the system to structurally modify the optimization problem's feasibility region in real-time based on qualitative human inputs. The resulting bidirectional coupling---where operational observations update the virtual model state and optimized decisions are reflected back into the Knowledge Graph---satisfies the synchronization requirement of a proper Digital Twin. The framework features an adaptive decision policy} that automatically selects between low-complexity schedule repair and full re-optimization by analyzing the available system slack. Finally, we demonstrate the generalization of this approach across six distinct optimization domains, {\color{red}turning static models into resilient systems that adapt to the operational uncertainty and variability of real-world environments.}

Bilevel optimization provides a natural modeling language for hierarchical decision problems. However, applying existing numerical solvers usually requires substantial manual analysis and reformulation. In this paper, we introduce disciplined bilevel programming (DBLP), a symbolic framework that allows users to specify and solve optimistic bilevel problems in a high-level, human-readable way that is close to the mathematical formulation. For problems with a disciplined nonlinear upper problem and a convex lower problem satisfying the disciplined parameterized programming rules, DBLP automatically canonicalizes the lower problem into conic form and constructs an equivalent single-level reformulation using the conic Karush-Kuhn-Tucker conditions. We relax the resulting complementarity constraint and use a gap continuation procedure to approximately solve a sequence of smooth nonlinear problems. We implement DBLP in the open-source Python package BLVPY, an extension of CVXPY for bilevel programming. We demonstrate the modeling and solution capabilities of BLVPY on a range of bilevel optimization problems from several application domains. The proposed framework and implementation allow users to specify and solve bilevel optimization problems within a few lines of code, without prior expertise in bilevel modeling and numerical optimization.

For solving nonconvex equality-constrained optimization problems, a recent Gradient-Eigenstep Algorithm by Goyens et al.~is an iteration-efficient approach, based on minimizing Fletcher's augmented Lagrangian function, for finding an approximate second-order stationary point from an arbitrary starting point. In this paper, the analysis of this algorithm is extended, offering a two-fold contribution. First, it is shown that a local-linear rate of convergence can be obtained by this method if it is initiated sufficiently close to a strong second-order stationary point and employs a sufficiently small step-size parameter and sufficiently large penalty parameter. In this case, the algorithm reduces to a gradient descent algorithm applied to minimize Fletcher's augmented Lagrangian. Second, as a particularly useful application of the first result, it is shown that the Gradient-Eigenstep algorithm can be used as an iteration-efficient subproblem solver in the context of a progressive sampling strategy for solving equality-constrained optimization problems when the objective and constraint functions are defined by large sample averages, ultimately offering an algorithm with an improved worst-case sample complexity when compared to an approach that solves a full-sample problem directly.

Basin is a numerical optimization library for the Rust programming language. Numerical optimization is the task of finding the inputs that minimize a function, and it is a fundamental element across the sciences: fitting a model to data, calibrating a simulation, training a machine learning model, or choosing engineering parameters that minimize cost. Basin gives users a single, consistent way to both state and solve such problems, with a broad catalog of solvers and first-class support for constraints.

Tabular model performance degrades when feature distributions change over time or the relationship between features and outcome variables change over time, known as data drift and concept drift, respectively. These issues are challenging to mitigate in real time because labeled data may not be immediately available, or re-training a model could be impractical. While tools exist to reduce drift, they are typically bespoke to neural network architectures and adapt how models are trained. In this paper, we offer an alternative post-hoc method to reduce concept drift, which is applicable to a variety of models, from trees to neural networks to tabular foundation models. This new tool is especially useful when constraints, such as high model accuracy, bounded inference time, or model size requires users to choose between different models for their specific use-cases. Our algorithm fits the base model separately on each labeled training period, measures how its parameters evolve against a single anchor model pooled over all of those periods, compresses those changes with a low-rank factorization, and extrapolates each latent factor forward with a damped, regularized forecast. On the 18-dataset Drift-Resilient TabPFN benchmark, evaluated under that benchmark's own protocol and metric, the extrapolation improves every base family it is applied to, and achieves performance competitive with the state-of-the-art Drift-Resilient TabPFN with seconds of training. In contrast, Drift-Resilient TabPFN requires pre-training on millions of synthetic datasets over approximately 1,300 GPU-hours, and is orders of magnitude slower in inference (depending on the model). In the discussion, we explore the promise and challenges of extending this tool to other modalities.

We propose Dynamic Constraint Learning (DCL), a data-driven framework for constrained optimization when constraint functions are unknown and cannot be queried during optimization. At each iteration, the method learns a local surrogate from nearby data and solves a subproblem within a data-supported trust region. Compared with offline global constraint learning, the approach uses local surrogates that adapt to the data distribution during optimization and can achieve solution quality comparable to that of global models while using simpler local models and smaller optimization subproblems. We demonstrate the performance of DCL on a synthetic test problem and two case studies from the literature.

The usefulness of a variational autoencoder (VAE) depends on two properties of its latent space that are hard to obtain together: high encoding capacity in the individual latent variables, and a low-dimensional, disentangled organization of those variables. Weakening the Kullback-Leibler regularization raises capacity but degrades disentanglement, while strengthening it prunes latent variables away entirely. We formulate VAE training as a soft-constrained optimization problem that addresses both. First, we impose an entropy-based constraint (EC) on individual latent variables, showing that the entropy of a latent code upper-bounds the mutual information it carries about the generative factors of the data. Second, we propose a weight-filter method that exploits the slack of the soft constraint to prune low-entropy dimensions during downstream training. On dSprites, the EC raises the aggregate latent-variable activation score by 43-62% over a vanilla VAE, attains the highest FactorVAE score among the \b{eta} \b{eta}-VAE variants (0.891 vs 0.847), and lowers reconstruction error by up to 38%. On MNIST, the weight filter reduces the latent dimensionality supplied to a downstream classifier from ten to two while holding accuracy above 90%, converging in 37% fewer epochs than the same procedure without the EC. We also find that low-entropy discrete factors tend to merge into a single latent variable, whereas high-entropy continuous factors are distributed across several.

Variational autoencoders (VAEs) transform high-dimensional, often noisy data into a compact latent representation, making downstream optimization more tractable. Three challenges persist in VAE-based constrained optimization: (i) sampling effectively within the latent space, (ii) identifying the active decision variables that actually influence the objective and constraints, and (iii) enforcing constraints without destabilizing training. We propose a Multi-stage Constrained Optimization Framework (MCOF). First, an entropy-constrained VAE (EC-VAE) coupled with a feature selector embeds objective and constraint information into a designated subset of latent variables, so that optimization proceeds over a low-dimensional subspace while the remaining coordinates supply solution diversity. Second, a Uniform Transformation (UT) module applies a per-dimension probability integral transform, replacing the irregular aggregate posterior with a uniform distribution over a bounded box and mitigating posterior collapse and Gaussian mixture bias. Third, a constraint-priority filter method (CPFM) solves the resulting surrogate problem by alternating violation-reduction and objective-reduction steps under a filter acceptance test, returning solutions that are feasible for the learned surrogate to a specified tolerance without requiring multiplier estimation. Finally, unselected latent coordinates are resampled to generate diverse decodings of a single optimized solution. We validate MCOF on a synthetic problem, where we ablate each stage and recover the analytic optimum, and on a ZINC250k drug design task, where the generated molecules satisfy the imposed constraints and are entirely novel relative to the training set.

Expensive constrained optimization problems in real-world industry design often involve constraint thresholds that are difficult to determine in advance. Engineers may need to adjust constraint thresholds to explore different feasibility-performance trade-offs, requiring solutions under a wide range of threshold settings. However, existing constrained Bayesian optimization methods treat each threshold configuration independently, leading to repeated optimization and failing to exploit the shared relationship among continuously varying thresholds. To address this challenge, we propose constraint-bound agnostic Bayesian optimization (CBA-BO), a learning-based framework that learns a parametric constraint model mapping thresholds to optimal solutions. Once learned, CBA-BO directly predicts solutions for arbitrary unseen threshold configurations without additional optimization, with a one-step Bayesian optimization refinement further improving solution quality. Experiments on benchmark and engineering problems demonstrate that CBA-BO learns a transferable threshold-solution mapping, enabling efficient prediction and optimization for arbitrary threshold queries. An intent-guided constraint-bound recommendation mechanism is further developed to improve objective performance while satisfying user-specified constraint preferences.

Constrained Optimization Problems are crucial in fields such as engineering, economics, and robotics, where high-dimensional search spaces and complex objectives and constraints are common. Numerical optimization methods, including Feasible Direction, Interior Point, and Sequential Quadratic Programming, have shown strong performance in finding feasible local optima, but require accurate analytical gradients and effective initialization, which can be challenging in real-world settings. Evolutionary Algorithms, on the other hand, offer gradient-free search and robustness to noisy landscapes, managing to detect global optima more often than numerical methods, but they often suffer from high computational costs and slow convergence. In this work, we propose a Hybrid Augmented Lagrangian (HyAL) method that integrates the AL framework's constraint-handling strengths with the exploratory power of population-based search. Our approach employs evolutionary techniques to solve subproblems within the AL iterations, promoting exploration and aiding in the escape from local optima. We conduct extensive experiments on benchmark optimization problems, comparing our method against state-of-the-art optimizers, including IPOPT and CMA-ES, and a standalone evolutionary optimization baseline (with constraint enforcement via penalties). In addition, we evaluate four population-based methods integrated within the AL framework to study the effect of different evolutionary solvers. Our results show that HyAL consistently produces high-quality solutions across the benchmark suite. It outperforms purely evolutionary approaches and scales more effectively to high-dimensional constrained problems, where evolutionary-only methods often struggle. HyAL also surpasses state-of-the-art numerical optimization algorithms on complex landscapes containing numerous local minima and saddle points.

We introduce a constrained two-view framework for node prediction that aligns structure-conditioned GNN embeddings with a structure-free feature prior learned by an anchor model. Conventional Graph Neural Networks (GNNs) couple feature transformation and neighborhood aggregation, which renders them vulnerable to topology noise and heterophilous connections. To decouple this dependency, our framework utilizes an independent anchor network to capture intrinsic attribute features via a self-supervised reconstruction objective. Furthermore, we propose a Channel-Split Adaptive Gated GNN (CSAG-GNN) that dynamically routes representations between global spectral smoothing and local spatial discrimination through a node-wise gating mechanism. We propose a stable cyclic alternating optimization strategy to solve the resulting coupled bi-level objective, preventing mutual representation drift during training. Empirical results on both homophilous and heterophilous benchmarks show balanced performance gains and structural robustness over competitive baselines.

A central challenge in statistical modeling is identifying the subset of features that belong in the true regression model. The classical best subset selection problem, recently made tractable via mixed-integer optimization (MIO), finds the globally optimal sparse solution. It does not, however, make use of any information beyond the observed data. In many applied settings, domain experts can meaningfully rank or score the relevance of candidate predictors, yet no existing framework integrates such probabilistic expert assessments directly into the best-subsets objective. This paper presents Expert-Implied Bayesian Best Subsets (EBBS), a method that incorporates domain-expert probability estimates of feature relevance into the MIO best-subsets problem through a maximum a posteriori (MAP) framework. Expert views from multiple respondents are aggregated into a single prior probability per feature using the Poisson binomial distribution for marginal probability estimates, the pairwise win rate for pairwise comparisons, or the normalized mean rank for ordinal rankings. This probability enters the objective function as a log-odds penalty term that smoothly encourages or discourages the selection of each feature consistent with the expert consensus. This paper provides analytic derivations of the MAP formulation and characterizes its theoretical properties. The proposed model reduces to Best Subsets when experts all have no views. Empirical results on synthetic and real datasets are forthcoming.

Constrained single-objective numerical optimization requires a careful balance among feasibility, objective convergence, and computational efficiency under a fixed function-evaluation budget. This paper proposes DE-2LS, a late-stage, locally search-enhanced variant of differential evolution built on the RDEx framework. The proposed method preserves the original RDEx components, including mutation and crossover operators, success-history adaptation, archive mechanism, population-size reduction, and $ε$-based constraint handling. A lightweight coordinate-pattern local search is added as a guarded polishing component around the current best solution. It is activated only in the late stage of the run, uses a small evaluation budget, and accepts candidates through a feasibility-aware comparison rule. Ablation results show that the finalized DE-2LS configuration achieves the best U-score among all tested variants, confirming that controlled late-stage refinement is more effective than aggressive or premature local search. In the direct comparison with RDEx, DE-2LS achieves a 5.58% gain in U-score. In the four-algorithm comparison, DE-2LS obtains the highest overall U-score of 80968 and the best total rank of 48 among RDEx, CL-SRDE, and UDE-III. These results indicate that DE-2LS improves the exploitation capability of the RDEx-based search framework while preserving its speed advantage under the combined speed-accuracy scoring criterion. The source code of DE-2LS is available at https://github.com/ChauhanDikshit?tab=repositories.

Unconstrained single-objective numerical optimization requires a careful balance among global exploration, late-stage exploitation, and function-evaluation efficiency. This paper presents DE-2LS, a late-stage, local-search-enhanced differential evolution framework built on RDEx for unconstrained single-objective optimization with variable bounds. The proposed method preserves the original RDEx evolutionary search engine and introduces two conservative refinements: a smoothed exploitation-biased branch-rate update in the late search stage and a guarded coordinate-pattern local-search that serves as a budget-aware refinement mechanism. Since the considered setting is unconstrained apart from variable bounds, all selection and local-search acceptance decisions are based solely on objective values. To determine the final algorithm configuration, we conduct a staged ablation study by testing multiple settings of the EB-rate smoothing mechanism, the initial EB-rate, the standard-branch Gaussian sampling scale, the selection-pressure parameters, and the local-search coefficients. The final configuration is selected using a U-score-based evaluation that jointly reflects solution quality and convergence speed. Experimental results show that DE-2LS consistently improves the original RDEx in direct head-to-head comparison. In particular, DE-2LS increases the U-score from $33602.0$ to $37448.0$, corresponding to an improvement of $11.45\%$. Moreover, compared with several competitive and IEEE CEC-winning algorithms, DE-2LS achieves the best overall U-score of $178966.5$, outperforming the others by $34.43\%$. These results show that a carefully designed late-stage local-search strategy can improve both convergence speed and the final objective quality of the algorithm. The source code of DE-2LS is available at https://github.com/ChauhanDikshit?tab=repositories.

The development of medical AI is constrained by limited access to high-quality clinical data due to institutional silos and strict privacy regulations such as HIPAA and GDPR. Synthetic data generation offers a potential solution, but existing methods lack principled mechanisms to explicitly manage the privacy-utility trade-off, often degrading clinically meaningful patterns or risking patient re-identification. We present PSyGenTAB, a privacy-preserving generative framework that formulates synthetic healthcare data generation as a constrained optimization problem solved using the Augmented Lagrangian Method. By embedding configurable privacy constraints directly into model training, PSyGenTAB enforces minimum privacy thresholds while maximizing clinical data utility. Across multiple clinically motivated benchmarks, PSyGenTAB preserves inter-feature clinical relationships and minority-class diagnostic patterns essential for reliable health AI. Downstream evaluation using Train-on-Synthetic, Test-on-Real and Train-on-Real, Test-on-Synthetic protocols shows that models trained on synthetic data achieve performance comparable to those trained on real patient records. Privacy auditing further demonstrates reduced exact record reproduction and strong resilience to membership inference attacks. These results establish PSyGenTAB as a principled framework for balancing privacy protection and clinical utility in synthetic healthcare data, supporting secure cross-institutional AI development.

Standardized examinations are typically treated as uniform syllabus coverage problems. We argue they are better understood as adversarial systems with stable latent cognitive structures diverging systematically from official syllabi. We introduce LearnOpt, which recovers this structure from historical question papers and generates personalized, time-bounded study plans. Applied to nine years of NEET questions (2016-2024, n=1,496), LearnOpt builds an exam knowledge graph from LLM-tagged questions, extracts a five-category latent skill distribution, and formulates study planning as a knapsack-variant optimization over prerequisite-aware subgraphs with Bayesian Knowledge Tracing. Central finding: NEET's latent skill distribution is stable within a syllabus regime (consecutive-year KL divergence 0.004-0.032 for 2016-2021, non-significant under permutation testing) but shifts significantly with NCERT's 2023 syllabus rationalization: pooling 2016-2021 (n=1,072) vs 2023-2024 (n=392) gives KL=0.040 (p=0.0005), with Elimination/Negation questions rising from ~20-29% to ~31-35%. Latent structure, while not permanently stationary, is piecewise stable, with shifts detectable and attributable to curricular events. Within either regime, subject predicts skill profile more strongly than year. An optimization evaluation, using one real and two synthetic mastery profiles, shows the skill-weighted objective produces a modest but real reordering of recommended topics over a mastery-conditioned frequency baseline. Applying the pipeline to JEE Advanced reveals a profile dominated by Multi-concept Integration (80.9% vs. 33.3% for NEET), with a JEE-vs-NEET divergence (KL=0.505) exceeding NEET's largest cross-subject divergence: exam tier shapes latent cognitive structure more than subject, which shapes it more than time within a regime. Code, knowledge graph, and annotated dataset are released publicly.

Long-horizon language agents accumulate observations, reasoning traces, and retrieved facts exceeding context windows, making memory retention a fundamental resource-allocation problem. Existing systems treat retention as local and do not model long-term consequences under observability constraints. To fill this gap, we formulate memory retention as a constrained stochastic optimization with budget feasibility, evidence utility, and delayed costs including miss, reacquisition, and stale penalties. We show this multi-step problem is NP-hard, making exact solution intractable. Moreover, deployment decisions must be made under partial observability. To address these challenges, we propose OSL-MR (Observability-Safe Learning for Memory Retention), a learning-augmented framework that enforces a strict separation between online-observable features and offline-available supervision. OSL-MR combines an evidence learner trained from realized evidence with a Mixed-Score heuristic that serves as a deployable online-safe baseline and an inductive prior. The policy learns query-conditioned evidence from interaction data and remains deployable under the same constraints. Experiments on LoCoMo and LongMemEval show OSL-MR outperforms recency-based, Generative Agents-style, and other heuristic baselines, especially under tight budgets. The Mixed-Score prior improves precision and recall, and sensitivity analysis shows robustness across cost settings. On small solvable instances, single-step optimization is insufficient to anticipate future demand shifts, while OSL-MR stays significantly closer to the dynamic-programming optimum, confirming the necessity of the sequential formulation and reinforcing our learning-guided approximation. These results establish constrained stochastic optimization and optimization-guided learning as a principled foundation for memory management in long-horizon agents.

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.

Constrained hyperparameter optimization (HPO) is common in practice, yet Optuna's widely used constrained TPE lacks algorithmic analysis. While c-TPE proposes an expected constrained improvement (ECI) approach assuming independence between the objective and constraints, Optuna uses a single joint density over both. We show that Optuna's constrained TPE is joint c-TPE -- the same ECI acquisition function using a joint likelihood. We demonstrate joint c-TPE is invariant to constraint duplication whereas independent c-TPE degrades as the product accumulates duplicated factors. We outline practical tradeoffs between the formulations and directions for future study.

Decision-focused learning (DFL) trains predictive models by optimizing downstream decision quality rather than standalone prediction accuracy. For contextual linear optimization, most existing DFL methods assume offline data and full observations of the objective cost vector. We develop an on-policy learning method for sequential contextual linear optimization under partial feedback, generalizing the standard bandit feedback setting. Our method learns a stochastic predict-then-optimize policy that samples a cost-vector prediction from a conditional distribution and solves the resulting downstream linear optimization problem. To update this distributional model, we introduce a two-component hybrid gradient estimator. The first component is a score function estimator, which provides an unbiased but potentially high-variance policy gradient estimate. The second is a decision-focused plug-in component that uses an auxiliary nuisance estimate of the latent cost vector to exploit the downstream optimization structure, becoming more informative as the estimate improves. We prove an $\mathcal{O}(T^{-1/2})$ bound on the average squared policy-gradient norm, matching the standard non-convex SGD rate. Experiments on top-$k$ selection, shortest path, combinatorial pricing, and a real-data energy-scheduling benchmark show that the hybrid gradient approach achieves lower cumulative regret than contextual-bandit-style baselines across all benchmarks, using both Gaussian and richer conditional generative models. Code is available at https://github.com/Joeyetinghan/on-policy-bandit-dfl.

Unlearning in diffusion models aims to remove undesirable data or concepts while preserving the utility of pretrained models -- two fundamentally conflicting objectives. We propose a principled constrained optimization framework that formulates unlearning as minimizing the deviation from a pretrained model, subject to explicit separation constraints from the unlearning distributions. Specifically, we formulate three constrained optimization problems based on reverse and forward KL divergences, and likelihood constraints. The first two generalize existing approaches for concept and data unlearning, while the third offers a novel and natural formulation for unlearning. Despite the nonconvexity of the KL constraints, we establish strong duality for all three problems, enabling us to explicitly characterize their optimal solutions as unlearning targets and develop primal-dual algorithms for each formulation. Experimental results demonstrate that our KL-constrained approach achieves superior retention-unlearning tradeoffs compared to weight-based baselines for concept and data unlearning, and that our likelihood-based approach matches unlearning effectiveness while better preserving retained concepts compared to baselines.

Adapting generative foundation models, in particular diffusion and flow models, to optimize given reward functions (e.g., binding affinity) while satisfying constraints (e.g., molecular synthesizability) is fundamental for their adoption in real-world scientific discovery applications such as molecular design or protein engineering. While recent works have introduced scalable methods for reward-guided fine-tuning of such models via reinforcement learning and control schemes, it remains an open problem how to algorithmically trade-off reward maximization and constraint satisfaction in a reliable and predictable manner. Motivated by this challenge, we first present a rigorous framework for Constrained Generative Optimization, which brings an optimization viewpoint to the introduced adaptation problem and retrieves the relevant task of constrained generation as a sub-case. Then, we introduce Constrained Flow Optimization (CFO), an algorithm that automatically and provably balances reward maximization and constraint satisfaction by reducing the original problem to sequential fine-tuning via established, scalable methods. We provide convergence guarantees for constrained generative optimization and constrained generation via CFO. Ultimately, we present an experimental evaluation of CFO on both synthetic, yet illustrative, settings, and a molecular design task. Across these evaluations, CFO achieves consistent increases in reward while ensuring high constraint satisfaction, showcasing its practical utility for constrained generative optimization.

Reconstructing physically stable 3D scenes from a single RGB image enables casual images to be converted into simulation-ready digital assets for applications such as immersive interaction and content creation. However, existing single-image reconstruction methods fall short in capturing the physical structure of a scene. As a result, they often produce geometrically plausible but physically inconsistent results, including object floating and penetration, which lead to unstable behavior in physics simulations. Image-conditioned scene generation methods improve physical plausibility but often rely on strong scene priors, yielding plausible yet inaccurate object arrangements that fail to match the input image. We propose REST3D, a single-image reconstruction framework that can reconstruct physically stable 3D scenes by integrating physical scene understanding with physics-constrained refinement. We first introduce an agentic physical scene understanding technique that constructs a scene-tree representation capturing object physical states and inter-object relationships from a gravity-support perspective, providing a structural prior for reconstruction. Leveraging this structure, we initialize the scene using image-to-3D models, followed by scene-tree-guided alignment and physics-constrained optimization to resolve physical violations while preserving visual consistency with the input image. Experiments show that our method significantly reduces physical errors and improves simulation stability on both synthetic and real-world datasets while maintaining strong reconstruction quality. We further demonstrate the reconstructed scenes in VR-based human-object interaction, showing their potential for immersive applications.

Federated fine-tuning of foundation models with Low-Rank Adaptation (LoRA) provides an efficient solution for reducing communication and computation costs while preserving data locality. However, the direct combination of FedAvg and LoRA suffers from three key issues: limited update space, which restricts the model's effective learning capacity; inter-round state mismatch, which disrupts cross-round local optimization continuity; and a client-agnostic starting state, which slows local convergence on clients. Although recent methods mitigate the limited update space issue by merging LoRA updates into the backbone across communication rounds, inter-round state mismatch and the client-agnostic starting state remain insufficiently addressed. To address these issues, we propose FedSmoothLoRA, a federated LoRA tuning framework that preserves the enlarged update space, improves cross-round local optimization continuity, and provides a client-aware starting state for local training. At each communication round, FedSmoothLoRA constructs the local LoRA initialization using two matrices: a Round-Matching matrix that preserves cross-round local state continuity, and a Gradient-Aligned matrix that provides client-specific optimization guidance from gradient signals estimated on local data. Together, these designs enable smoother and faster convergence. Extensive experiments on image classification and natural language generation tasks demonstrate that FedSmoothLoRA consistently outperforms existing federated LoRA tuning methods. Code: https://github.com/wangzehao0704/FedSmoothLoRA

Bayesian experimental design (BED) is a principled framework for data-efficient design of sequential experiments. However, existing BED methods are unable to adapt to dynamic constraints inherent in real-world tasks due to budget limitations, varying costs, or physical constraints that restrict how designs evolve over time. In this paper, we introduce a novel approach to BED that enables constrained optimization of experimental designs by combining offline pre-training of an amortized policy and a posterior network with online multi-step lookahead planning using scenario trees. We empirically demonstrate that our method yields substantially more informative design sequences than existing methods across a range of constrained BED tasks, while incurring only a modest additional computational overhead.

Diffusion models have shown promise in learning to solve constraint optimization problems. However, they are mostly restricted to problems with binary variables and rely on graph neural networks, hindering their application to a broader range of problems such as those with general discrete variables or constraint structures that necessitate global rather than local reasoning. We investigate the use of Diffusion Transformers to address the aforementioned limitations. A naive implementation performs poorly due to a fundamental mismatch between the standard diffusion process and constraint solving: while the former applies small, incremental denoising across all variables, the latter requires substantially altering specific subsets of variables to attain feasibility or optimality. Our method, Blocked Gibbs Diffusion Transformer (BloGDiT), is the first to address this limitation by replacing standard joint Gaussian denoising with blocked Gaussian denoising. BloGDiT uses iterative block resampling and anneals the block size over time to facilitate large, targeted edits within a block of variables. Across Sudoku, Graph Coloring, Maximum Independent Set, and MaxCut, BloGDiT matches or outperforms existing methods, demonstrating that blocked Gibbs-style diffusion provides a highly effective inductive bias for Transformer-based constraint satisfaction and optimization.

Optimization problems constrained by high-dimensional, time-dependent partial differential equations require repeated forward and sensitivity solves, making high-fidelity optimization computationally prohibitive in many-query design and control settings. We present a weak-form latent-space reduced-order modeling framework for accelerating gradient-based PDE-constrained optimization. The proposed approach builds on Weak-form Latent Space Dynamics Identification (WLaSDI), which compresses high-dimensional solution trajectories into a low-dimensional latent representation and identifies parametric latent dynamics using weak-form system identification. By avoiding explicit numerical differentiation of training trajectories, the weak-form improves robustness to noisy data and yields more reliable surrogate dynamics for optimization. We formulate the resulting reduced PDE-constrained optimization problem and derive both direct-sensitivity and adjoint-based gradient expressions for the learned latent dynamics, enabling scalable gradient evaluation with respect to design parameters. The framework is demonstrated on three time-dependent benchmark problems: thermal radiative transfer for optimal hohlraum design, the two-stream instability Vlasov-Poisson system, and the inviscid Burgers equation. Across these examples, WLaSDI produces accurate optimal designs, remains robust under noisy training data, and delivers substantial computational savings, including speedups of up to five orders of magnitude relative to full-order optimization. These results demonstrate that weak-form latent dynamics provide an efficient and noise-robust surrogate foundation for gradient-based optimization of complex time-dependent PDE systems.

Applying local search algorithms to combinatorial optimization problems is not an easy feat. Typically, human intervention is required to compile the constraints to input data for some metaheuristic algorithm. In this paper, we establish a link between symmetry properties of constraint optimization problems and local search neighborhoods, and we use this link to automatically generate neighborhoods from a constraint specification in the context of the IDP system. We evaluate the obtained neighborhoods for six classical optimization problems. The resulting observations support the viability of this technique.

The numerical optimization of continuous functions is a fundamental task in many scientific and engineering domains, ranging from mechanical design to training of artificial intelligence models. Among the most effective and widely used algorithms for this purpose is Differential Evolution (DE), known for its simplicity and strong performance. Recent research has shown that adapting AI models to operate over alternative number systems-such as complex numbers, quaternions, and geometric algebras-can improve model compactness and accuracy. However, such extensions remain underexplored in bio-inspired optimization algorithms. In particular, the use of quaternion algebra represents an emerging area in computational intelligence. This paper introduces a family of novel Quaternion-Valued Differential Evolution (QDE) algorithms that operate directly in the quaternion space. We propose several mutation strategies specifically designed to exploit the algebraic and geometric properties of quaternions. Results show that our QDE variants achieve faster convergence and superior performance on several function classes in the BBOB benchmark compared to the traditional real-valued DE algorithm.

We study policy optimization for infinite-horizon, discounted constrained Markov decision processes (CMDPs). While existing theoretical guarantees typically hold for the mixture policy, deploying such a policy is computationally and memory intensive. This leads to a practical mismatch where a single (last-iterate) policy must be deployed. Recent theoretical works have thus focused on proving last-iterate convergence, but are largely limited to the tabular setting or to algorithmic variants that are rarely used in practice. To address this, we use the classic inexact augmented Lagrangian ($\texttt{AL}$) method from constrained optimization, and propose a general framework with provable last-iterate convergence for CMDPs. We first focus on the tabular setting and propose to solve the $\texttt{AL}$ sub-problem with projected Q-ascent ($\texttt{PQA}$). Combining the theoretical guarantees of $\texttt{PQA}$ and the standard $\texttt{AL}$ analysis enables us to establish global last-iterate convergence. We generalize these results to handle log-linear policies, and demonstrate that an efficient, projected variant of $\texttt{PQA}$ can achieve last-iterate convergence with comparable guarantees as prior work. Finally, we demonstrate that our framework scales to complex non-linear policies, and evaluate it on continuous control tasks.

The growing deployment of large language models (LLMs) makes per-request routing essential for balancing response quality and computational cost across heterogeneous model pools. Current routing methods rarely consider sustainable energy use and CO2 emissions as optimization objectives, despite grid carbon intensity varying by time and region, and models differing significantly in energy consumption. To address this gap, we introduce Green-Aware Routing (GAR), a constrained multi-objective optimization framework that minimizes per-request CO2 emissions subject to explicit accuracy floors and p95-latency service-level objectives (SLOs). GAR employs adaptive constraint optimization through per-dataset floor tuning and incorporates lightweight estimators for correctness, tail latency, and carbon emissions, enabling real-time routing decisions without additional inference passes. We present GAR-PD, a practical online primal-dual routing algorithm for rolling carbon budgets, alongside heuristic variants that achieve high feasibility coverage while limiting accuracy degradation. Comprehensive experiments across standard NLP benchmarks with heterogeneous LLM pools (7B-70B) demonstrate that GAR achieves substantial carbon reductions while maintaining competitive accuracy and p95 latency guarantees, providing a practical, theoretically grounded approach to sustainable LLM inference.

Treating and preventing Human Immunodeficiency Virus (HIV) remains a critical global health challenge. While antiretroviral therapy provides a path toward viral suppression -- effectively eliminating an individual's transmission risk -- systemic resource constraints limit the reach of intervention efforts. This work addresses the strategic distribution of intensive resources among virally unsuppressed individuals to minimize the expected cascade of new infections within a transmission network. We formalize this challenge as a novel constrained optimization problem where we have resources to "treat" $k$ out of a set $\mathbf{P}$ of virally unsuppressed individuals, and establish its theoretical connections to existing computational literature. We then propose Cascade-Aware Suppression of Transmission (CAST), a polynomial-time $(δ, ε)$-approximation algorithm that achieves a $2\sqrt{|\mathbf{P}|}$ approximation ratio by leveraging connections to the Minimum-$k$-Union (MkU) problem and Hoeffding-style concentration bounds. Extensive evaluations on real-world HIV networks demonstrate that CAST outperforms standard public health and computer science baselines. Furthermore, we show that CAST is empirically robust across diverse infectious disease networks, varied edge probability initializations, and settings involving imperfect network data.

We design Local LMO - a new projection-free gradient-type method for constrained optimization. The key algorithmic idea is to replace the global linear minimization oracle over the constraint set used by Frank-Wolfe (FW) with a local linear minimization oracle over the intersection of the constraint set and a "small" ball centered at the current iterate. In particular, when minimizing $f:\mathbb{R}^d\to \mathbb{R}$ over a constraint $\emptyset\neq\mathcal{X}\subseteq\mathbb{R}^d$, Local LMO performs the iteration $$x_{k+1}\in \arg\min_{z\in\mathcal{X}\cap\mathcal{B}(x_{k},t_k)}\langle\nabla f(x_{k}), z \rangle,$$ where $x_0\in\mathcal{X}$, and $t_k>0$ is a suitably chosen radius which can be interpreted as an effective stepsize. While designed as an alternative to FW, Local LMO is perhaps best viewed as a generalization of Gradient Descent (GD) rather than a modification of FW. Indeed, it is easy to see that Local LMO reduces to GD in the unconstrained setting and, more generally, to GD restricted to an affine subspace if the constraint $\mathcal{X}$ is affine. We prove that this simple algorithmic scheme transfers the known (unaccelerated) convergence rates of Projected Gradient Descent (PGD) to the projection-free world in several important regimes, some of which are beyond the reach of FW. In contrast to FW theory, i) our guarantees hold without requiring the feasible set $\mathcal{X}$ to be bounded, ii) our theory does not require the "curvature" assumption, which allows us to establish a standard sublinear rate for convex functions with bounded gradients, iii) we obtain a linear rate in the smooth strongly convex regime. Furthermore, we obtain sharp sublinear rates in the smooth convex and non-convex regimes, in the $(L_0,L_1)$-smooth convex regime, and in stochastic and non-differentiable settings.

Augmented Lagrangian and optimistic primal--dual methods stabilize equality-constrained optimization through seemingly different mechanisms: the former adds constraint-dependent primal curvature, while the latter adds dual memory. Recent work has shown that these mechanisms are equivalent for scalar parameters. We extend this equivalence to matrix-valued correction. We prove an additivity principle: for symmetric matrix parameters, the ideal primal trajectory depends only on the summed correction matrix, not on how it is split between augmented and optimistic channels. This exposes a design freedom: algebraically equivalent decompositions can have different finite-step feasibility because augmented correction affects primal curvature, whereas optimistic correction affects the scale of the dual memory correction. We formulate the resulting step-size-limited design problem and derive a closed-form hybrid rule that selects a matrix correction, splits it between the two channels, and chooses primal and dual steps using local spectral weights. Experiments on nonlinear equality-constrained problems with controlled constraint-Jacobian conditioning show that the hybrid design improves over pure augmented and pure optimistic endpoints, closely tracks a grid-search hybrid oracle, and is competitive with first-order primal--dual baselines under mild-to-moderate ill-conditioning. The experiments also identify the expected limitation: exact cancellation requires increasingly large matrix corrections as the constraint Jacobian becomes ill-conditioned.

A number of optimization algorithms have been inspired by the physics of Newtonian motion. Here, we ask the question: do algorithms themselves obey some natural laws of motion,'' and can they be derived by an application of these laws? We explore this question by positing the theory that optimization algorithms may be considered as some manifestation of hidden algorithm primitives that obey certain universal non-Newtonian dynamics. This natural physics of optimization is developed by equating the terminal transversality conditions of an optimal control problem to the generalized Karush/John-Kuhn-Tucker conditions of an optimization problem. Through this equivalence formulation, the data functions of a given constrained optimization problem generate a natural vector field that permeates an entire hidden space with information on the optimality conditions. An action-at-a-distance'' operation via a Pontryagin-type minimum principle produces a local action to deliver a globalized result by way of a Hamilton-Jacobi inequality. An inverse-optimal algorithm is generated by performing control jumps that dissipate quantized ``energy'' defined by a search Lyapunov function. Illustrative applications of the proposed theory show that a large number of algorithms can be generated and explained in terms of the new mathematical physics of optimization.

A unified framework for first-order optimization algorithms fornonconvex unconstrained optimization is proposed that uses adaptivelypreconditioned gradients and includes popular methods such as full anddiagonal AdaGrad, AdaNorm, as well as adpative variants of Shampoo andMuon. This framework also allows combining heterogeneous geometriesacross different groups of variables while preserving a unifiedconvergence analysis. A fully stochastic global rate-of-convergenceanalysis is conducted for all methods in the framework, with andwithout two types of momentum, using reasonable assumptions on thevariance of the gradient oracle and without assuming boundedstochastic gradients or small enough stepsize.

We introduce a constrained optimization framework for training transformers that behave like optimization descent algorithms. Specifically, we enforce layerwise descent constraints on the objective function and replace standard empirical risk minimization (ERM) with a primal-dual training scheme. This approach yields models whose intermediate representations decrease the loss monotonically in expectation across layers. We apply our method to both unrolled transformer architectures and conventional pretrained transformers on tasks of video denoising and text classification. Across these settings, we observe constrained transformers achieve stronger robustness to perturbations and maintain higher out-of-distribution generalization, while preserving in-distribution performance.

Real-world constrained multi-objective optimization problems (CMOPs) commonly involve multiple constraints, and understanding and exploiting their coupling relationships is crucial for efficient optimization. Recent constraint-decoupling methods handle individual constraints separately, but they generally search only in the evolutionary direction to approximate single-constraint Pareto fronts (SCPFs). In this study, we show that part or all of the constrained Pareto front (CPF) may be unrelated to any SCPF and instead be shaped by the boundaries of infeasible regions. We refer to such a portion as the independent CPF (ICPF) and introduce the reverse CPF (RCPF) to characterize its associated informative infeasible boundaries. Based on these observations, we propose a bidirectional constraint-decoupling coevolutionary algorithm named DCF2D. DCF2D dynamically identifies the constraints obstructing the main population and activates constraint-specific auxiliary populations. These populations adaptively search in the evolutionary direction for the corresponding SCPFs or in the reverse evolutionary direction for the corresponding RCPFs. Its three-stage framework integrates unconstrained global exploration, event-driven bidirectional coevolution, and final convergence refinement. Experiments on 87 benchmark instances from seven test suites and 28 real-world engineering CMOPs demonstrate that DCF2D achieves the best overall performance among nine algorithms. Code available at: https://github.com/RuiqingS/DCF2D.

Diffusion models are increasingly used not only for sampling from learned data distributions, but also for generating samples that optimize task-specific objectives. A common approach is to guide the reverse diffusion process using gradients of an external objective. However, when the data distribution is supported on a structured feasible set, such as a manifold or a constraint set, gradient guidance can move samples away from the learned data geometry. In this paper, we study a simple projected-gradient-guided diffusion update based on the observation that the Stein denoising operator can act as an approximate projection onto the data geometry. The proposed update incorporates the objective gradient inside the denoising step, yielding an inference-time method that uses only a pretrained denoiser and gradient evaluations. We analyze this update as an inexact projected-gradient method for constrained optimization over learned feasible geometries. Our theory covers three settings: linear manifolds, compact convex feasible sets, and compact Riemannian submanifolds. In all these settings, we prove descent and finite-time convergence guarantees. Numerical experiments support the theoretical interpretation and illustrate how the proposed update balances objective descent with preservation of the learned geometry.