Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards optimizing user-specified objectives. We establish a mathematical framework for guided diffusion to systematically study its optimization theory and algorithmic design. Our theoretical analysis spots a strong link between guided diffusion models and optimization: gradient-guided diffusion models are essentially sampling solutions to a regularized optimization problem, where the regularization is imposed by the pre-training data. As for guidance design, directly bringing in the gradient of an external objective function as guidance would jeopardize the structure in generated samples. We investigate a modified form of gradient guidance based on a forward prediction loss, which leverages the information in pre-trained score functions and provably preserves the latent structure. We further consider an iteratively fine-tuned version of gradient-guided diffusion where guidance and score network are both updated with newly generated samples. This process mimics a first-order optimization iteration in expectation, for which we proved $\tilde{\mathcal{O}}(1/K)$ convergence rate to the global optimum when the objective function is concave.

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative diffusion models as a constrained optimization problem, steering the generated data distribution to remain within a specified region to ensure adherence to the given constraints.These capabilities are validated on applications featuring both convex and challenging, non-convex, constraints as well as ordinary differential equations, in domains spanning from synthesizing new materials with precise morphometric properties, generating physics-informed motion, optimizing paths in planning scenarios, and human motion synthesis.

Data-driven decision-making processes increasingly utilize end-to-end learnable deep neural networks to render final decisions. Sometimes, the output of the forward functions in certain layers is determined by the solutions to mathematical optimization problems, leading to the emergence of differentiable optimization layers that permit gradient back-propagation.However, real-world scenarios often involve large-scale datasets and numerous constraints, presenting significant challenges. Current methods for differentiating optimization problems typically rely on implicit differentiation, which necessitates costly computations on the Jacobian matrices, resulting in low efficiency.In this paper, we introduce BPQP, a differentiable convex optimization framework designed for efficient end-to-end learning. To enhance efficiency, we reformulate the backward pass as a simplified and decoupled quadratic programming problem by leveraging the structural properties of the Karush-Kuhn-Tucker (KKT) matrix. This reformulation enables the use of first-order optimization algorithms in calculating the backward pass gradients, allowing our framework to potentially utilize any state-of-the-art solver. As solver technologies evolve, BPQP can continuously adapt and improve its efficiency.Extensive experiments on both simulated and real-world datasets demonstrate that BPQP achieves a significant improvement in efficiency--typically an order of magnitude faster in overall execution time compared to other differentiable optimization layers. Our results not only highlight the efficiency gains of BPQP but also underscore its superiority over differential optimization layer baselines.

In this paper, we introduce faster accelerated primal-dual algorithms for minimizing a convex function subject to strongly convex function constraints. Prior to our work, the best complexity bound was $\mathcal{O}(1/{\varepsilon})$, regardless of the strong convexity of the constraint function.It is unclear whether the strong convexity assumption can enable even better convergence results. To address this issue, we have developed novel techniques to progressively estimate the strong convexity of the Lagrangian function.Our approach, for the first time, effectively leverages the constraint strong convexity, obtaining an improved complexity of $\mathcal{O}(1/\sqrt{\varepsilon})$. This rate matches the complexity lower bound for strongly-convex-concave saddle point optimization and is therefore order-optimal.We show the superior performance of our methods in sparsity-inducing constrained optimization, notably Google's personalized PageRank problem. Furthermore, we show that a restarted version of the proposed methods can effectively identify the optimal solution's sparsity pattern within a finite number of steps, a result that appears to have independent significance.

However, this convention tends to oversimplify the multi-dimensional and heterogeneous nature of human preferences, leading to reduced expressivity and even misalignment. This paper presents Panacea, an innovative approach that reframes alignment as a multi-dimensional preference optimization problem. Panacea trains a single model capable of adapting online and Pareto-optimally to diverse sets of preferences without the need for further tuning. A major challenge here is using a low-dimensional preference vector to guide the model's behavior, despite it being governed by an overwhelmingly large number of parameters. To address this, Panacea is designed to use singular value decomposition (SVD)-based low-rank adaptation, which allows the preference vector to be simply injected online as singular values. Theoretically, we prove that Panacea recovers the entire Pareto front with common loss aggregation methods under mild conditions. Moreover, our experiments demonstrate, for the first time, the feasibility of aligning a single LLM to represent an exponentially vast spectrum of human preferences through various optimization methods. Our work marks a step forward in effectively and efficiently aligning models to diverse and intricate human preferences in a controllable and Pareto-optimal manner.

Neural network pruning is a key technique towards engineering large yet scalable, interpretable, and generalizable models. Prior work on the subject has developed largely along two orthogonal directions: (1) differentiable pruning for efficiently and accurately scoring the importance of parameters, and (2) combinatorial optimization for efficiently searching over the space of sparse models. We unite the two approaches, both theoretically and empirically, to produce a coherent framework for structured neural network pruning in which differentiable pruning guides combinatorial optimization algorithms to select the most important sparse set of parameters. Theoretically, we show how many existing differentiable pruning techniques can be understood as nonconvex regularization for group sparse optimization, and prove that for a wide class of nonconvex regularizers, the global optimum is unique, group-sparse, and provably yields an approximate solution to a sparse convex optimization problem. The resulting algorithm that we propose, SequentialAttention++, advances the state of the art in large-scale neural network block-wise pruning tasks on the ImageNet and Criteo datasets.

Recent progress in Neural Causal Models (NCMs) showcased how identification and partial identification of causal effects can be automatically carried out via training of neural generative models that respect the constraints encoded in a given causal graph [Xia et al. 2022, Balazadeh et al. 2022]. However, formal consistency of these methods has only been proven for the case of discrete variables or only for linear causal models. In this work, we prove the consistency of partial identification via NCMs in a general setting with both continuous and categorical variables. Further, our results highlight the impact of the design of the underlying neural network architecture in terms of depth and connectivity as well as the importance of applying Lipschitz regularization in the training phase. In particular, we provide a counterexample showing that without Lipschitz regularization this method may not be asymptotically consistent. Our results are enabled by new results on the approximability of Structural Causal Models (SCMs) via neural generative models, together with an analysis of the sample complexity of the resulting architectures and how that translates into an error in the constrained optimization problem that defines the partial identification bounds.

We present a novel methodology for convex optimization algorithm design using ideas from electric RLC circuits. Given an optimization problem, the first stage of the methodology is to design an appropriate electric circuit whose continuous-time dynamics converge to the solution of the optimization problem at hand. Then, the second stage is an automated, computer-assisted discretization of the continuous-time dynamics, yielding a provably convergent discrete-time algorithm. Our methodology recovers many classical (distributed) optimization algorithms and enables users to quickly design and explore a wide range of new algorithms with convergence guarantees.

With the arrival of the Noisy Intermediate-Scale Quantum (NISQ) era, Variational Quantum Algorithms (VQAs) have emerged to obtain possible quantum advantage. In particular, how to effectively incorporate hard constraints in VQAs remains a critical and open question. In this paper, we manage to combine the Hamming Weight Preserving ansatz with a topological-aware parity check on physical qubits to enforce error mitigation and further hard constraints. We demonstrate the combination significantly outperforms peer VQA methods on both quantum chemistry problems and constrained combinatorial optimization problems e.g.

Current methods for training Binarized Neural Networks (BNNs) heavily rely on the heuristic straight-through estimator (STE), which crucially enables the application of SGD-based optimizers to the combinatorial training problem. Although the STE heuristics and their variants have led to significant improvements in BNN performance, their theoretical underpinnings remain unclear and relatively understudied. In this paper, we propose a theoretically motivated optimization framework for BNN training based on Gaussian variational inference. In its simplest form, our approach yields a non-convex linear programming formulation whose variables and associated gradients motivate the use of latent weights and STE gradients. More importantly, our framework allows us to formulate semidefinite programming (SDP) relaxations to the BNN training task. Such formulations are able to explicitly models pairwise correlations between weights during training, leading to a more accurate optimization characterization of the training problem. As the size of such formulations grows quadratically in the number of weights, quickly becoming intractable for large networks, we apply the Burer-Monteiro approach and only optimize over linear-size low-rank SDP solutions. Our empirical evaluation on CIFAR-10, CIFAR-100, Tiny-ImageNet and ImageNet datasets shows our method consistently outperforming all state-of-the-art algorithms for training BNNs.