Inequality Constraints

Consistent submodular maximization studies the tradeoff between solution quality and stability when elements arrive over time. For a monotone submodular objective, which models diminishing returns, an algorithm maintains a set of at most $k$ available elements and changes only $O(1)$ elements after each insertion. Dütting et al. [2025] established a tight $2/3$ approximation with unrestricted computation and a polynomial-time $0.51$ approximation. They left open at STOC 2025 whether efficient algorithms can match the offline $1-1/e$ guarantee. We resolve this problem by proving that the supremum approximation achievable with polynomially many value queries and worst-case constant recourse is $$β=2-\sqrt2\approx0.5858<1-1/e.$$ For every $\varepsilon>0$, our randomized algorithm attains $β-\varepsilon$ with $O(\varepsilon^{-2})$ changes per insertion. Any fixed improvement requires exponentially many queries before one critical insertion or linear recourse of $Ω(k)$ changes at that insertion, even with unlimited queries afterwards. This gap quantifies the cost of consistency: the current oracle hides which elements will be needed after an arrival. We also determine the exact curvature-dependent threshold $1-(\sqrt2-1)\vartheta$, attain $1-1/e-\varepsilon$ for weighted coverage with $O(\varepsilon^{-1})$ recourse, and separate the existence of universal future-price certificates from their efficient computation. Our algorithm has a bounded-bit polynomial-time implementation for polynomial-bit rational oracle answers; the lower bound uses only logarithmic-bit rational answers.

Physics-informed machine learning incorporates physical principles --often expressed via differential operators-- into data-driven models. While physics-informed neural networks (PINNs) dominate empirical applications, the complexity of neural network architectures and optimization landscapes hinders the development of a corresponding learning theory. In turn, kernel methods offer an appealing alternative with closed-form solutions and analytical tractability, yet existing guarantees primarily cover the well-specified setting where the target belongs to the native Reproducing Kernel Hilbert Space (RKHS). This imposes unrealistic regularity assumptions that physical targets often fail to satisfy. In this paper, we introduce and analyze Physics-Informed Kernel methodS (PIKS). We establish the universal consistency of PIKS for linear differential constraints, proving that for universal kernels (such as Gaussian or Matérn), the estimator asymptotically learns the target while satisfying physical constraints. We further derive finite-sample bounds under suitable source conditions. Our analysis is based on extending classical operator-theoretic analysis of kernel methods to physics-informed machine learning. Numerical experiments demonstrate that PIKS can be competitive with PINNs and traditional finite element methods.

While the integration of linear constraints has significantly expanded the reach of Answer Set Programming (ASP), existing hybrid solvers often rely on disparate semantic underpinnings that lack a unified logical foundation. We address this gap by introducing a many-sorted variant of the Bound-founded Logic of Here-and-There (HTb), providing a versatile framework capable of characterizing equilibrium models across a wide spectrum of alternative semantics for extensions of ASP with linear constraints. We apply this framework to the setting of difference constraints, focusing on the semantic characterization of clingo[DL]. Central to our approach is the formalization of foundedness for numeric variables. By investigating how different hybrid systems - such as clingo[DL], clingcon, and flingo - justify constraint atoms, we uncover the semantic roots of their varying behaviors. This investigation results in a single, consistent framework that not only formalizes the foundations of current systems like clingo[DL] but also facilitates the rigorous study of program simplifications and the future integration of diverse semantic principles.

We consider defining risk probability in stochastic control problems under distribution ambiguity. Current approaches for chance-constrained control typically assume that the true state distribution is known and Gaussian distributed. These assumptions are not amenable to many real-world engineering applications where system dynamics are nonlinear and only approximately modeled. In this work, we define a distribution ambiguity set and, with a variational expression for exponential integrals, bound the expected risk value under an unknown distribution that resides within a relative entropy distance of a nominal Gaussian reference distribution. Our bound recovers the reference risk value in the zero-divergence limit. A method is presented to determine the relative entropy distance defining the ambiguity set that is a function of the reference covariance evolution and second-order dynamical truncation errors. The resulting contributions provide a framework for handling distributional ambiguity in nonlinear covariance steering problems. A stochastic spacecraft guidance example is presented to demonstrate our contributions.

Structural optimization problems often involve a large number of decision variables and highly non-convex feasible regions, making convergence to the true Pareto front extremely challenging. Even when convergence is achievable, it typically requires thousands of function evaluations, resulting in significant computational cost. This highlights the need for efficient and robust optimization algorithms for real-world engineering applications. In this study, we introduce a novel constrained multi-objective evolutionary algorithm, termed DPCME. The algorithm employs two interacting populations that exchange information, enabling effective global exploration and reducing the risk of convergence to local optima. To further enhance performance, a recent repair-based constraint-handling technique is incorporated, and alternative repair approaches are proposed and systematically evaluated. The proposed algorithm is tested on three engineering problems: the 72-bar truss, the 120-bar truss, and a chemical tanker structure, each involving hundreds of nonlinear failure constraints. Its performance is evaluated against state-of-the-art constrained multi-objective optimization algorithms from the latest PlatEMO package. A total of 43 algorithms are initially tested, from which the 12 best-performing methods are selected for detailed comparison. The results demonstrate that DPCME achieves superior or competitive convergence and diversity across all test cases, and that the inclusion of repair-based constraint handling further improves its performance.

We study nonasymptotic convergence of primal-dual methods for a class of nonconvex constrained optimization problems with a convex-composite structure. In this class, both the objective and the functional inequality constraints are given by convex Lipschitz outer functions composed with smooth nonlinear inner mappings. The analysis is complicated by constraint violation in a nonconvex functional inequality system and by the lack of an a priori bound on the multipliers. To address these issues, we restrict the dual variable to an auxiliary compact set and analyze a smoothed prox-linear augmented Lagrangian method through a nonsmooth nonconvex-concave minimax reformulation. The main contribution is a finite-time mechanism for converting stationarity of the truncated minimax problem into a KKT certificate for the original constrained problem. We show that, for a sufficiently large penalty parameter, all but a controlled number of iterates enter a near-feasible region. On this region, a local conic regularity condition uniformly bounds the associated prox-linear multipliers and thereby makes the artificial dual truncation inactive at the selected iterates. Building on this mechanism, we establish explicit convergence rates for the proposed method in terms of the KKT residual. With dual regularization, a global dual error bound together with a bias-balancing argument gives an $O(K^{-1/3})$ rate. In the unregularized case, under additional local structural assumptions including piecewise linearity of the outer functions, a local dual error bound yields the sharper $O(K^{-1/2})$ rate.

Generative models have emerged as scalable surrogates for physical simulation, yet they offer no guarantee that their outputs respect the conservation laws, boundary conditions, and nonlinear invariants that govern the underlying physics. Constrained sampling closes this gap, enforcing such constraints exactly at inference time without retraining, but at a computational cost: projection, correction and trajectory-optimization steps are repeated during sampling, with these steps becoming expensive for nonlinear constraints. Standard ML frameworks exacerbate this: their dense tensor algebra and limited sparse solver composability obscure the structure that physical constraints naturally induce, making efficient batched nonlinear optimization difficult to realize in practice. We address this bottleneck by exploiting the structure that sample-wise batching and local PDE couplings induce in the projection subproblems -- namely, block-sparse Jacobian and KKT systems -- exposing this structure using ExaModels.jl and solving the resulting sparse nonlinear programs with MadNLP.jl and GPU sparse factorization. Applied to Physics-Constrained Flow Matching (PCFM), on PDE benchmarks with linear, nonlinear, one-dimensional, and two-dimensional constraints, this approach accelerates nonlinear constraint projection while maintaining constraint satisfaction. These results show that sparse GPU nonlinear optimization is a practical foundation for constrained generative sampling in scientific machine learning.

Balance-oriented multi-warehouse inventory allocation is a recurring decision problem in large-scale e-commerce supply chains, in which a fixed replenishment quantity is distributed across warehouses to balance post-allocation inventory coverage while accounting for demand forecasts and heterogeneous allocation constraints. In practice, allocation requirements are often scenario-dependent and expressed in semi-structured or natural-language form rather than as ready-to-solve operations research (OR) formulations. We propose an OR-guided Large Language Model (LLM) for Allocation (ORLA) that uses solver feedback to generate, verify, and select OR formulations. ORLA integrates automatic "Problem-Model-Code (PMC)" generation, learning-based formulation selection, and feasibility restoration. We develop three complementary mixed-integer programming formulation families based on deviation minimization, soft band compliance, and knapsack-inspired allocation, together with solver-ready mixed-integer linear programming reformulations, modular constraint extensions, and a penalty-based relaxation mechanism for infeasible cases. The LLM component generates candidate formulations and executable solver code from textual or semi-structured specifications, while the solver provides verification signals for executability, feasibility, and solution quality. To address instance heterogeneity, ORLA estimates the expected quality of candidate formulations, selects promising candidates, and combines their outputs through score-aware aggregation. Experimental results on 29 production evaluation batches from JD.com show that the best single OR formulation improves allocation accuracy by 3.4 percentage points over the incumbent approach, while the full ORLA framework achieves a 4.5 percentage-point overall improvement and improves allocation accuracy in 26 of the 29 evaluation batches.

There has been significant recent progress in algorithms for approximation of Nash equilibrium in large two-player zero-sum imperfect-information games and exact computation of Nash equilibrium in multiplayer strategic-form games. While counterfactual regret minimization and fictitious play are scalable to large games and have convergence guarantees in two-player zero-sum games, they do not guarantee convergence to Nash equilibrium in multiplayer games. Recently, an approach has been presented for exact computation of Nash equilibrium in multiplayer imperfect-information games that solves a quadratically constrained program based on a nonlinear complementarity problem formulation derived from the sequence-form game representation. This formulation was solved using Gurobi's nonconvex quadratic solver, which employs spatial branch-and-bound to iteratively refine variable bounds by solving convex relaxations of bilinear terms via McCormick envelopes. During presolve, Gurobi introduces auxiliary variables and, in some cases, binary variables, leading to an internal MIQCP reformulation. This approach was demonstrated to outperform prior algorithms from the Gambit software suite and quickly solve three-player Kuhn poker after removal of dominated actions; however, the algorithm was not able to solve the full version of the game within 24 hours. In this paper, we derive finite bounds on slack and multiplier variables in the nonlinear complementarity formulation. These bounds strengthen the convex relaxations used within spatial branch-and-bound and lead to substantial computational improvements. We demonstrate the impact of the proposed bounds on exact Nash equilibrium computation in three-player Kuhn poker.

Machine learning models are increasingly used to model chemical process systems, yet they often lack principled uncertainty quantification and mechanisms to enforce physical constraints. We propose a probabilistic neural network framework that guarantees satisfaction of linear equality constraints within a given tolerance, while capturing aleatoric uncertainty. Compared to state-of-the-art methods, our formulation demonstrates improved predictive accuracy, uncertainty calibration, and adherence to constraints on reduced data. It also demonstrates competitive performance, but with significantly faster training times when evaluated on large data regimes. We evaluated this on two batch reactor case studies, enforcing mass balances.

Enforcing functional inequality constraints such as monotonicity and convexity in neural networks is a fundamental challenge in many industrial and scientific applications. Classical one-sided penalty methods, along with primal-dual methods gated by complementary slackness, provide constraint gradients only at violated locations, resulting in fragile satisfaction. Architectures that guarantee feasibility by construction, on the other hand, remain largely limited to elementary cases and impose additional inductive biases. We introduce neural slack variables, a deep learning native primal-side approach that converts constraint enforcement into a regression problem by coupling the primary network with a jointly learned auxiliary network. The auxiliary network serves as a valid target for the primary network's constraint quantities, inducing feasibility and regularity. Neural slack variables achieve zero measured violations on dense-grid monotonicity and convexity test cases, where penalty and primal-dual baselines leave residual violations, and enable arbitrage-free learning of volatility surfaces, an open industrial challenge in quantitative finance.

Physics-informed neural networks (PINNs) combine machine learning with physical laws to solve differential equations. While existing results provide rigorous \emph{a posteriori} upper bounds for PINN prediction errors, complete certification also requires complementary lower information in order to obtain computable two-sided error enclosures. In this paper, we derive computable \emph{a posteriori} lower bounds for PINN errors in ordinary differential equations on suitable certified state-space domains under a localized strong monotonicity condition. We combine these estimates with complementary localized upper bounds under a one-sided Lipschitz condition, which is weaker than the global Lipschitz assumption used in previous work and can yield sharper upper error bands. The resulting bounds depend only on the neural-network approximation, the ODE residual, and local monotonicity and growth constants, and therefore do not require access to the exact solution. For linear time-invariant and time-varying systems, we further derive explicit formulas in terms of the minimal and maximal eigenvalues of the symmetric part of the system matrix. We also discuss the distinction between soft and hard enforcement of initial conditions in PINNs and explain why exact enforcement can make the scalar lower certificate uninformative. To recover nontrivial lower information in the linear setting, we use a signed-residual finite-probe certificate based on coordinate unit vectors. We also formulate a certificate-informed training strategy in which the propagated upper certificate is used as an auxiliary regularizer, while lower certificates remain post-training diagnostics. Altogether, the proposed framework provides rigorous and practically computable error certificates for PINN approximations of ODEs, while making explicit the domains and model classes for which the assumptions can be verified.

While physics-informed neural networks (PINNs) have shown strong potential for process modeling, physical equations are only enforced as soft constraints during training, and thus, they do not guarantee constraint satisfaction at inference. We propose a framework, called piecewise-linear Karush--Kuhn--Tucker hard-constrained PINNs (PL-KKT-hPINNs), that strictly enforces nonlinear equality constraints through piecewise-linear projection. This extends the KKT-hPINN framewor, which exactly enforces linear equalities through the Karush--Kuhn--Tucker (KKT) conditions associated with orthogonally projecting neural network outputs onto the constraint feasible region. The method is demonstrated on a continuous stirred-tank reactor (CSTR) case study for both one and two inputs. Results show that PL-KKT-hPINN preserves predictive accuracy comparable to that of a standard neural network while achieving substantially lower constraint violations. In addition, the proposed model shows improved robustness in low-data regimes, yielding lower RMSE than the unconstrained neural network for limited training sample sizes. These results demonstrate that PL-KKT-hPINN provides a computationally efficient and physically consistent framework for surrogate modeling of nonlinear chemical engineering systems.

Enforcing nonlinear inequality constraints in neural networks remains challenging, especially when the output is subject to many coupled constraints. Existing hard constraint methods often impose structural restrictions on the constraint set or introduce substantial computational overhead for large-scale nonlinear problems. Here, we propose DiffSlack, a differentiable projection layer for nonlinear inequality-constrained neural prediction. DiffSlack reformulates inequalities as equalities with learnable slack variables, which are predicted as part of the augmented network output and provide a data-driven warm start for damped Gauss-Newton projection. The projection layer maps raw predictions onto the augmented feasible manifold while preserving end-to-end differentiability. A two-stage curriculum further stabilizes training and improves constraint satisfaction. We evaluate DiffSlack on vehicle path planning with 200 nonlinear inequality constraints from collision avoidance, curvature limits, and waypoint spacing. Compared with existing learning-based baselines, DiffSlack achieves a higher planning success rate and stronger geometric constraint satisfaction under a comparable inference budget. Ablation studies further show that the hard projection layer reduces sensitivity to supervision quality. Closed-loop tracking in CARLA and real-world vehicle experiments confirms the executability of the generated trajectories. These results demonstrate that DiffSlack provides a practical and scalable approach to embedding hard inequality constraints into neural networks for engineering applications.

In this article, we establish the global convergence properties of the FilterDDP algorithm, which extends the discrete-time differential dynamic programming (DDP) algorithm of Mayne and Jacobson [\emph{International Journal of Control}, 3, (1966), pp. 85-95] to handle nonlinear constraints over states and controls, in addition to the dynamics. FilterDDP adopts a line-search filter procedure for step acceptance. However, instead of a damped Newton step applied in the general nonlinear programming setting, the computation of a trial point involves applying a backward recursion and a forward simulation. We establish the global convergence of FilterDDP by showing that for a subset of constrained optimal control problems, the this backward-forward procedure satisfies the same properties as a Newton step for the purpose of establishing global convergence of a line-search filter method, following the analysis of Wächter and Biegler [\emph{SIAM Journal on Optimization}, 16 (2005), pp. 1-31].

Many learning tasks in science and engineering are characterized by sparse datasets, which limits the effectiveness of purely data-driven approaches. At the same time, these problems are often accompanied by rich domain knowledge derived from physical laws, operational requirements, and expert heuristics. Such knowledge is frequently expressed as rules involving logical propositions and linear inequalities. Existing neuro-symbolic methods typically enforce these rules approximately through soft penalties, assume input-independent rules when designing specialized architectures, or rely on non-differentiable post-processing at inference time to achieve hard constraint satisfaction. While recent advances in differentiable optimization layers enable end-to-end feasibility enforcement within neural networks, extending these approaches to logical or mixed-integer rules remains challenging due to inherent nonconvexity. In this work, we propose a unified end-to-end framework for enforcing hard, input-dependent mixed integer linear constraints within neural networks. Our approach represents rules as disjunctive constraints and applies hierarchical convex relaxations to obtain convex hull formulations. These relaxations yield tractable linear constraints that can be embedded as differentiable optimization layers while enabling exact rule satisfaction. We demonstrate the effectiveness of the proposed framework on real-world datasets, achieving perfect rule satisfaction and strong predictive performance.

This paper presents a low-complexity, model-free, output-feedback controller for a class of unknown time-varying nonlinear systems with unknown input constraints. The controller achieves the preset control accuracy when the actuator is not saturated and maintains flexible control accuracy after actuator saturation. This result extends existing constraint control methods for linear manifolds to a more general form, including the construction of nonlinear manifolds and various types of constraints, thereby achieving preset control accuracy within finite or fixed time. Additionally, flexible control under unknown saturation is achieved through the construction of an error-driven flexible constraint. Finally, second-order and higher-order control examples and simulations are provided.

We introduce a manifold-based framework for addressing optimization problems with equality and inequality constraints found in robotics. Our approach transforms the original problem into an unconstrained optimization problem directly on the constrained state space. To achieve this, we introduce ``constraint manifolds with corners" to represent the state space satisfying mixed nonlinear equality and inequality constraints. We further extend manifold optimization algorithms to operate on this new topological structure. We demonstrate the power and robustness of our framework in the context of a large-scale kinodynamic planning problem, successfully generating dynamically feasible trajectories where standard methods fail.

Quadratic constraints (QCs) are widely used to characterize nonlinearities and uncertainties, but generic analytical characterizations can be conservative on bounded domains. This paper develops a framework for constructing verified quadratic characterizations of scalar relations in the two-dimensional real plane. Candidate quadratic inequalities are locally generated by solving convex quadratic programs using samples from the relation and exterior sample points. They are then verified globally using sum-of-squares certificates over an exact semialgebraic description or, in the case of nonpolynomial relations, over relaxed polynomial descriptions. The resulting verified constraints define a sound overapproximation of the scalar relations over the considered domains. These constraints are directly compatible with existing analysis frameworks based on QCs and pointwise integral quadratic constraints (IQCs) for static nonlinearities and uncertainties, and they can also be embedded in QC-based semidefinite programs for reachability and safety analysis of feedforward neural networks. For smooth activations such as $\tanh$, the method yields domain-dependent quadratic characterizations that constitute an alternative to generic sector- or slope-based descriptions. For ReLU networks, we give methods to reduce conservatism in QC-based reachability analysis of feedforward networks by exploiting dependencies between neurons and tighter local bounds. Numerical examples demonstrate improved reachability results for smooth activations, reduced conservatism for ReLU networks, and applicability beyond neural networks through an example involving saturation.

While conventional (k=1) discrete-time barrier certificate conditions impose strict safety constraints by requiring the function to be non-increasing at every step, k-inductive barrier certificates relax this by allowing a temporary increase -- up to k-1 times, each within a threshold $ε$ -- while maintaining overall safety, and improving flexibility. This paper leverages neural networks and constructs k-inductive neural barrier certificates (k-NBCs) for (partially) unknown nonlinear systems. While neural networks offer scalability in the design process, they lack formal guarantees, requiring additional approaches such as counterexample-guided inductive synthesis (CEGIS) with satisfiability modulo theories (SMT) for verification. However, the CEGIS-SMT framework requires knowledge of system dynamics, which is unavailable in practical settings. To address this, we leverage the generalization of the Willems et al.'s fundamental lemma, using a single state trajectory, to construct a data-driven representation of (partially) unknown models for SMT verification without sacrificing accuracy. Additionally, CEGIS-SMT further removes the constraint of restricting barrier certificates to specific function classes, such as sum-of-squares, enabling greater flexibility in their design. We validate our approach on three nonlinear case studies with (partially) unknown dynamics.

Robust aggregation is the core operation in Byzantine-tolerant federated learning. To ensure the quality of aggregation independently of data distribution or attacks, validity conditions are needed. They provide geometric guarantees of where the output of the aggregation must lie. The widespread convex validity requires the output to lie in the convex hull of the honest vectors. Although this guarantee is strong in theory, it is poorly suited to modern federated learning systems, as it has dimension-dependent resilience and excludes many practical aggregation rules. We introduce the minimum enclosing ball (MEB) validity condition for robust aggregation, as well as its multiplicative relaxation, $c$-MEB validity, where $c$ is a constant. We show that exact MEB validity still suffers from limited resilience, while relaxed $c$-MEB validity is achievable if a majority of clients is honest, i.e. $n>2t$. We give an optimal MinMax-MEB rule for the relaxed condition with the bound $c<\sqrt{2}$ and prove explicit relaxed-MEB guarantees for standard aggregators including minimum-diameter averaging, medoid and geometric median. Finally, we relate MEB validity to convex, relaxed-convex and box validity studied in prior literature, thus providing a systematic map of geometric validity conditions for Byzantine-robust aggregation. Our results show that relaxed MEB validity connects validity conditions in distributed computing and Byzantine-tolerant aggregation rules, and offers a practical alternative to convex validity.

Sampling from constrained distributions has a wide range of applications, including in Bayesian optimization and robotics. Prior work establishes convergence and feasibility guarantees for constrained sampling, but assumes that the feasible set is connected. However, in practice, the feasible set often decomposes into multiple disconnected components, which makes efficient sampling under constraints challenging. In this paper, we propose MAnifold Sampling via Entropy Maximization (MASEM) for sampling on a manifold with an unknown number of disconnected components, implicitly defined by smooth equality and inequality constraints. The presented method uses a resampling scheme to maximize the entropy of the empirical distribution based on k-nearest neighbor density estimation. We show that, in the mean field, MASEM decreases the KL-divergence between the empirical distribution and the maximum-entropy target exponentially in the number of resampling steps. We instantiate MASEM with multiple local samplers and demonstrate its versatility and efficiency on synthetic and robotics-based benchmarks. MASEM enables fast and scalable mixing across a range of constrained sampling problems, improving over alternatives by an order of magnitude in Sinkhorn distance with competitive runtime.

Training a deep neural network with the outputs of selected layers satisfying linear constraints is required in many contemporary data-driven applications. While this can be achieved by incorporating projection layers into the neural network, its end-to-end training remains challenging due to the lack of rigorous theory and efficient algorithms for backpropagation. A key difficulty in developing the theory and efficient algorithms for backpropagation arose from the nonsmoothness of the solution mapping of the projection layer. To address this bottleneck, we introduce an efficiently computable HS-Jacobian to the projection layer. Importantly, we prove that the HS-Jacobian is a conservative mapping for the projection operator onto the polyhedral set, enabling its seamless integration into the nonsmooth automatic differentiation framework for backpropagation. Therefore, many efficient algorithms, such as Adam, can be applied for end-to-end training of deep neural networks with linear constraints. Particularly, we establish convergence guarantees of the HS-Jacobian based Adam algorithm for training linearly constrained deep neural networks. Extensive experiment results on several important applications, including finance, computer vision, and network architecture design, demonstrate the superior performance of our method compared to other existing popular methods.

We study zero-shot conditional sampling with pretrained diffusion models for linear inverse problems, including inpainting and super-resolution. In these problems, the observation determines only part of the unknown signal. The remaining degrees of freedom must be sampled according to the correct conditional data distribution. Existing projection-based samplers enforce measurement consistency by correcting the observed component during reverse diffusion. However, measurement consistency alone does not determine how probability mass should be distributed along the feasible set, and this can lead to biased conditional samples. We analyze this issue through a normal--tangent decomposition of the score function. For Gaussian noising, the observed-direction score is exactly determined by the measurement; only the tangent conditional score is unknown. We prove that the error from replacing this score by the unconditional tangent score is upper bounded by a dimension-free conditional mutual information between observed and unobserved components. This gives an information-theoretic decomposition into initialization and pathwise score-mismatch errors. Motivated by the theory, we propose a projected-Langevin initialization followed by guided reverse denoising, which outperforms a strong projection-based baseline in inpainting and super-resolution experiments.

Machine Learning is becoming more prevalent in science and engineering, but many approaches do not provide meaningful uncertainty estimates and predictions may also violate known physical knowledge. We propose a Bayesian framework to embed linear relationships across inputs and outputs into the learning process, whilst characterizing full predictive uncertainty over both the model parameters and the domain knowledge. We evaluated our method on learning the single particle battery model subject to voltage and energy balances, showing its ability to provide reduced credible intervals and constraint violations compared to standard Bayesian neural networks based on variational inference.

Enforcing constraint satisfaction in neural network outputs is critical for safety, reliability, and physical fidelity in many control and decision-making applications. While soft-constrained methods penalize constraint violations during training, they do not guarantee constraint adherence during inference. Other approaches guarantee constraint satisfaction via a projection layer, but often rely on the existence of a tractable projection onto the feasible set, limiting their utility in more general problem settings. Many real-world problems of interest are nonlinear and lack the special structure admitting a tractable projection, motivating the development of methods that can enforce general nonlinear constraints. To this end, we introduce HardNet++, a constraint-satisfaction method that enforces linear and nonlinear equality and inequality constraints. Our approach iteratively adjusts the network output via damped local linearizations of the constraints. Each iteration is differentiable, admitting an end-to-end training framework, where the constraint satisfaction layer is active during training. We show that under certain regularity conditions, this procedure enforces nonlinear constraint satisfaction to arbitrary tolerance. Finally, we demonstrate tight constraint adherence without loss of optimality in a learning-for-optimization context, where we apply this method to a nonlinear model predictive control problem.

Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for constrained diffusion models on generic nonconvex feasible sets $Σ$ that simultaneously enforces equality and inequality constraints throughout the diffusion process. Our framework incorporates both overdamped and underdamped dynamics for forward and backward sampling. A key algorithmic innovation is a computationally efficient landing mechanism that replaces costly and often ill-defined projections onto $Σ$, ensuring feasibility without iterative Newton solves or projection failures. By leveraging underdamped dynamics, we accelerate mixing toward the prior distribution, effectively alleviating the high simulation costs typically associated with constrained diffusion. Empirically, this approach reduces function evaluations and memory usage during both training and inference while preserving sample quality. On benchmarks featuring equality and mixed constraints, our method achieves comparable sample quality to state-of-the-art baselines while significantly reducing computational cost, providing a practical and scalable solution for diffusion on nonconvex feasible sets.

Data-driven control increasingly relies on deep models for complex systems whose first-principles models are difficult to obtain. For reliable deployment, however, learned dynamics should respect physical structure and lead to tractable optimal control. We introduce sign constraints, namely sign restrictions on Jacobian entries, as a unified description of monotonicity, positivity, and sign-definiteness. For exactly linearizable deep dynamics, we provide structural conditions and neural-network parameterizations that enforce these constraints by construction. The same structure also allows model predictive control to be formulated as a convex quadratic program or as a convex relaxation, yielding a unique optimizer and a Lipschitz continuous control law. Applications to a three-tank system and a hybrid powertrain demonstrate that the proposed approach offers improved extrapolation performance and smoother control inputs compared with competing nonconvex formulations.

For two causal structures with the same set of visible variables, one is said to observationally dominate the other if the set of distributions over the visible variables realizable by the first contains the set of distributions over the visible variables realizable by the second. Knowing such dominance relations is useful for adjudicating between these structures given observational data. Here, we consider the problem of determining the partial order of equivalence classes of causal structures with latent variables relative to observational dominance. We provide a complete characterization of the dominance order in the case of three visible variables, and a partial characterization in the case of four visible variables. Our techniques also help to identify which observational equivalence classes have a set of realizable distributions that is characterized by nontrivial inequality constraints, analogous to Bell inequalities and instrumental inequalities. We find evidence that as one increases the number of visible variables, the equivalence classes satisfying nontrivial inequality constraints become ubiquitous. (Because such classes are the ones for which there can be a difference in the distributions that are quantumly and classically realizable, this implies that the potential for quantum-classical gaps is also ubiquitous.) Furthermore, we find evidence that constraint-based causal discovery algorithms that rely solely on conditional independence constraints have a significantly weaker distinguishing power among observational equivalence classes than algorithms that go beyond these (i.e., algorithms that also leverage nested Markov constraints and inequality constraints).