Optimization
A Survey of Controllable Learning: Methods and Applications in Information Retrieval
Shen, Chenglei, Zhang, Xiao, Shi, Teng, Zhang, Changshuo, Xie, Guofu, Xu, Jun
Controllable learning (CL) emerges as a critical component in trustworthy machine learning, ensuring that learners meet predefined targets and can adaptively adjust without retraining according to the changes in those targets. We provide a formal definition of CL, and discuss its applications in information retrieval (IR) where information needs are often complex and dynamic. The survey categorizes CL according to who controls (users or platforms), what is controllable (e.g., retrieval objectives, users' historical behaviors, controllable environmental adaptation), how control is implemented (e.g., rule-based method, Pareto optimization, Hypernetwork), and where to implement control (e.g.,pre-processing, in-processing, post-processing methods). Then, we identify challenges faced by CL across training, evaluation, task setting, and deployment in online environments. Additionally, we outline promising directions for CL in theoretical analysis, efficient computation, empowering large language models, application scenarios and evaluation frameworks in IR.
Decision-Focused Evaluation of Worst-Case Distribution Shift
Ren, Kevin, Byun, Yewon, Wilder, Bryan
Distribution shift is a key challenge for predictive models in practice, creating the need to identify potentially harmful shifts in advance of deployment. Existing work typically defines these worst-case shifts as ones that most degrade the individual-level accuracy of the model. However, when models are used to make a downstream population-level decision like the allocation of a scarce resource, individual-level accuracy may be a poor proxy for performance on the task at hand. We introduce a novel framework that employs a hierarchical model structure to identify worst-case distribution shifts in predictive resource allocation settings by capturing shifts both within and across instances of the decision problem. This task is more difficult than in standard distribution shift settings due to combinatorial interactions, where decisions depend on the joint presence of individuals in the allocation task. We show that the problem can be reformulated as a submodular optimization problem, enabling efficient approximations of worst-case loss. Applying our framework to real data, we find empirical evidence that worst-case shifts identified by one metric often significantly diverge from worst-case distributions identified by other metrics.
Tuning-Free Alignment of Diffusion Models with Direct Noise Optimization
Tang, Zhiwei, Peng, Jiangweizhi, Tang, Jiasheng, Hong, Mingyi, Wang, Fan, Chang, Tsung-Hui
In this work, we focus on the alignment problem of diffusion models with a continuous reward function, which represents specific objectives for downstream tasks, such as improving human preference. The central goal of the alignment problem is to adjust the distribution learned by diffusion models such that the generated samples maximize the target reward function. We propose a novel alignment approach, named Direct Noise Optimization (DNO), that optimizes the injected noise during the sampling process of diffusion models. By design, DNO is tuning-free and prompt-agnostic, as the alignment occurs in an online fashion during generation. We rigorously study the theoretical properties of DNO and also propose variants to deal with non-differentiable reward functions. Furthermore, we identify that naive implementation of DNO occasionally suffers from the out-of-distribution reward hacking problem, where optimized samples have high rewards but are no longer in the support of the pretrained distribution. To remedy this issue, we leverage classical high-dimensional statistics theory and propose to augment the DNO loss with certain probability regularization. We conduct extensive experiments on several popular reward functions trained on human feedback data and demonstrate that the proposed DNO approach achieves state-of-the-art reward scores as well as high image quality, all within a reasonable time budget for generation.
Reinforcement Learning for Sequence Design Leveraging Protein Language Models
Subramanian, Jithendaraa, Sujit, Shivakanth, Irtisam, Niloy, Sain, Umong, Nowrouzezahrai, Derek, Kahou, Samira Ebrahimi, Islam, Riashat
Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often fail to exploit the structure of the combinatorial search space, to generalize to unseen sequences. In the context of discrete black box optimization over large search spaces, learning a mutation policy to generate novel sequences with reinforcement learning is appealing. Recent advances in protein language models (PLMs) trained on large corpora of protein sequences offer a potential solution to this problem by scoring proteins according to their biological plausibility (such as the TM-score). In this work, we propose to use PLMs as a reward function to generate new sequences. Yet the PLM can be computationally expensive to query due to its large size. To this end, we propose an alternative paradigm where optimization can be performed on scores from a smaller proxy model that is periodically finetuned, jointly while learning the mutation policy. We perform extensive experiments on various sequence lengths to benchmark RL-based approaches, and provide comprehensive evaluations along biological plausibility and diversity of the protein. Our experimental results include favorable evaluations of the proposed sequences, along with high diversity scores, demonstrating that RL is a strong candidate for biological sequence design. Finally, we provide a modular open source implementation can be easily integrated in most RL training loops, with support for replacing the reward model with other PLMs, to spur further research in this domain. The code for all experiments is provided in the supplementary material.
Conformal Prediction for Causal Effects of Continuous Treatments
Schrรถder, Maresa, Frauen, Dennis, Schweisthal, Jonas, Heร, Konstantin, Melnychuk, Valentyn, Feuerriegel, Stefan
Uncertainty quantification of causal effects is crucial for safety-critical applications such as personalized medicine. A powerful approach for this is conformal prediction, which has several practical benefits due to model-agnostic finite-sample guarantees. Yet, existing methods for conformal prediction of causal effects are limited to binary/discrete treatments and make highly restrictive assumptions such as known propensity scores. In this work, we provide a novel conformal prediction method for potential outcomes of continuous treatments. We account for the additional uncertainty introduced through propensity estimation so that our conformal prediction intervals are valid even if the propensity score is unknown. Our contributions are three-fold: (1) We derive finite-sample prediction intervals for potential outcomes of continuous treatments. (2) We provide an algorithm for calculating the derived intervals. (3) We demonstrate the effectiveness of the conformal prediction intervals in experiments on synthetic and real-world datasets. To the best of our knowledge, we are the first to propose conformal prediction for continuous treatments when the propensity score is unknown and must be estimated from data.
NLP Sampling: Combining MCMC and NLP Methods for Diverse Constrained Sampling
Toussaint, Marc, Braun, Cornelius V., Ortiz-Haro, Joaquim
Generating diverse samples under hard constraints is a core challenge in many areas. With this work we aim to provide an integrative view and framework to combine methods from the fields of MCMC, constrained optimization, as well as robotics, and gain insights in their strengths from empirical evaluations. We propose NLP Sampling as a general problem formulation, propose a family of restarting two-phase methods as a framework to integrated methods from across the fields, and evaluate them on analytical and robotic manipulation planning problems. Complementary to this, we provide several conceptual discussions, e.g. on the role of Lagrange parameters, global sampling, and the idea of a Diffused NLP and a corresponding model-based denoising sampler.
Accelerating Diffusion Sampling with Optimized Time Steps
Xue, Shuchen, Liu, Zhaoqiang, Chen, Fei, Zhang, Shifeng, Hu, Tianyang, Xie, Enze, Li, Zhenguo
Diffusion probabilistic models (DPMs) have shown remarkable performance in high-resolution image synthesis, but their sampling efficiency is still to be desired due to the typically large number of sampling steps. Recent advancements in high-order numerical ODE solvers for DPMs have enabled the generation of high-quality images with much fewer sampling steps. While this is a significant development, most sampling methods still employ uniform time steps, which is not optimal when using a small number of steps. To address this issue, we propose a general framework for designing an optimization problem that seeks more appropriate time steps for a specific numerical ODE solver for DPMs. This optimization problem aims to minimize the distance between the ground-truth solution to the ODE and an approximate solution corresponding to the numerical solver. It can be efficiently solved using the constrained trust region method, taking less than $15$ seconds. Our extensive experiments on both unconditional and conditional sampling using pixel- and latent-space DPMs demonstrate that, when combined with the state-of-the-art sampling method UniPC, our optimized time steps significantly improve image generation performance in terms of FID scores for datasets such as CIFAR-10 and ImageNet, compared to using uniform time steps.
Vertex Exchange Method for a Class of Quadratic Programming Problems
Liang, Ling, Toh, Kim-Chuan, Yang, Haizhao
A vertex exchange method is proposed for solving the strongly convex quadratic program subject to the generalized simplex constraint. We conduct rigorous convergence analysis for the proposed algorithm and demonstrate its essential roles in solving some important classes of constrained convex optimization. To get a feasible initial point to execute the algorithm, we also present and analyze a highly efficient semismooth Newton method for computing the projection onto the generalized simplex. The excellent practical performance of the proposed algorithms is demonstrated by a set of extensive numerical experiments. Our theoretical and numerical results further motivate the potential applications of the considered model and the proposed algorithms.
Meta-Learning Based Optimization for Large Scale Wireless Systems
Loli, Rafael Cerna, Clerckx, Bruno
Optimization algorithms for wireless systems play a fundamental role in improving their performance and efficiency. However, it is known that the complexity of conventional optimization algorithms in the literature often exponentially increases with the number of transmit antennas and communication users in the wireless system. Therefore, in the large scale regime, the astronomically large complexity of these optimization algorithms prohibits their use and prevents assessing large scale wireless systems performance under optimized conditions. To overcome this limitation, this work proposes instead the use of an unsupervised meta-learning based approach to directly perform non-convex optimization at significantly reduced complexity. To demonstrate the effectiveness of the proposed meta-learning based solution, the sum-rate (SR) maximization problem for the following three emerging 6G technologies is contemplated: hierarchical rate-splitting multiple access (H-RSMA), integrated sensing and communication (ISAC), and beyond-diagonal reconfigurable intelligent surfaces (BD-RIS). Through numerical results, it is demonstrated that the proposed meta-learning based optimization framework is able to successfully optimize the performance and also reveal unknown aspects of the operation in the large scale regime for the considered three 6G technologies.
A Fully Parameter-Free Second-Order Algorithm for Convex-Concave Minimax Problems with Optimal Iteration Complexity
Wang, Junlin, Yang, Junnan, Xu, Zi
In this paper, we study second-order algorithms for the convex-concave minimax problem, which has attracted much attention in many fields such as machine learning in recent years. We propose a Lipschitz-free cubic regularization (LF-CR) algorithm for solving the convex-concave minimax optimization problem without knowing the Lipschitz constant. It can be shown that the iteration complexity of the LF-CR algorithm to obtain an $\epsilon$-optimal solution with respect to the restricted primal-dual gap is upper bounded by $\mathcal{O}(\frac{\rho\|z^0-z^*\|^3}{\epsilon})^{\frac{2}{3}}$, where $z^0=(x^0,y^0)$ is a pair of initial points, $z^*=(x^*,y^*)$ is a pair of optimal solutions, and $\rho$ is the Lipschitz constant. We further propose a fully parameter-free cubic regularization (FF-CR) algorithm that does not require any parameters of the problem, including the Lipschitz constant and the upper bound of the distance from the initial point to the optimal solution. We also prove that the iteration complexity of the FF-CR algorithm to obtain an $\epsilon$-optimal solution with respect to the gradient norm is upper bounded by $\mathcal{O}(\frac{\rho\|z^0-z^*\|^2}{\epsilon})^{\frac{2}{3}}$. Numerical experiments show the efficiency of both algorithms. To the best of our knowledge, the proposed FF-CR algorithm is the first completely parameter-free second-order algorithm for solving convex-concave minimax optimization problems, and its iteration complexity is consistent with the optimal iteration complexity lower bound of existing second-order algorithms with parameters for solving convex-concave minimax problems.