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Optimization · Discrete and Combinatorial Optimization

Tam Nguyen, Anh-Dzung Doan, zhipeng cai, Tat-Jun Chin

Neuromorphic computers open up the potential of energy-efficient computation using spiking neural networks (SNN), which consist of neurons that exchange spike-based information asynchronously. In particular, SNNs have shown promise in solving combinatorial optimization. Underpinning the SNN methods is the concept of energy minimization of an Ising model, which is closely related to quadratic unconstrained binary optimization (QUBO). Thus, the starting point for many SNN methods is reformulating the target problem as QUBO, then executing an SNN-based QUBO solver. For many combinatorial problems, the reformulation entails introducing penalty terms, potentially with slack variables, that implement feasibility constraints in the QUBO objective. For more complex problems such as hypergraph minimum vertex cover (HMVC), numerous slack variables are introduced which drastically increase the search domain and reduce the effectiveness of the SNN solver. In this paper, we propose a novel SNN formulation for HMVC. Rather than using penalty terms with slack variables, our SNN architecture introduces additional spiking neurons with a constraint checking and correction mechanism that encourages convergence to feasible solutions. In effect, our method obviates the need for reformulating HMVC as QUBO. Experiments on neuromorphic hardware show that our method consistently yielded high quality solutions for HMVC on real and synthetic instances where the SNN-based QUBO solver often failed, while consuming measurably less energy than global solvers on CPU.

Theory · Reinforcement Learning and Planning

Qinbo Bai, Washim Mondal, Vaneet Aggarwal

This paper explores the realm of infinite horizon average reward Constrained Markov Decision Processes (CMDPs). To the best of our knowledge, this work is the first to delve into the regret and constraint violation analysis of average reward CMDPs with a general policy parametrization. To address this challenge, we propose a primal dual-based policy gradient algorithm that adeptly manages the constraints while ensuring a low regret guarantee toward achieving a global optimal policy. In particular, our proposed algorithm achieves $\tilde{\mathcal{O}}({T}^{4/5})$ objective regret and $\tilde{\mathcal{O}}({T}^{4/5})$ constraint violation bounds.

Deep Learning · Theory

Marco Nurisso, Pierrick Leroy, Francesco Vaccarino

Studying the interplay between the geometry of the loss landscape and the optimization trajectories of simple neural networks is a fundamental step for understanding their behavior in more complex settings.This paper reveals the presence of topological obstruction in the loss landscape of shallow ReLU neural networks trained using gradient flow. We discuss how the homogeneous nature of the ReLU activation function constrains the training trajectories to lie on a product of quadric hypersurfaces whose shape depends on the particular initialization of the network's parameters. When the neural network's output is a single scalar, we prove that these quadrics can have multiple connected components, limiting the set of reachable parameters during training. We analytically compute the number of these components and discuss the possibility of mapping one to the other through neuron rescaling and permutation. In this simple setting, we find that the non-connectedness results in a topological obstruction, which, depending on the initialization, can make the global optimum unreachable. We validate this result with numerical experiments.

Optimization

Xixi Jia, Fangchen FENG, Deyu Meng, Defeng Sun

This paper focuses on the optimization of overparameterized, non-convex low-rank matrix sensing (LRMS)—an essential component in contemporary statistics and machine learning. Recent years have witnessed significant breakthroughs in first-order methods, such as gradient descent, for tackling this non-convex optimization problem. However, the presence of numerous saddle points often prolongs the time required for gradient descent to overcome these obstacles. Moreover, overparameterization can markedly decelerate gradient descent methods, transitioning its convergence rate from linear to sub-linear. In this paper, we introduce an approximated Gauss-Newton (AGN) method for tackling the non-convex LRMS problem. Notably, AGN incurs a computational cost comparable to gradient descent per iteration but converges much faster without being slowed down by saddle points. We prove that, despite the non-convexity of the objective function, AGN achieves Q-linear convergence from random initialization to the global optimal solution. The global Q-linear convergence of AGN represents a substantial enhancement over the convergence of the existing methods for the overparameterized non-convex LRMS. The code for this paper is available at \url{https://github.com/hsijiaxidian/AGN}.

Computer Vision · Image Generation

Hao Phung, Quan Dao, Trung Dao, Viet Hoang Phan, Dimitris Metaxas, Anh Tran

We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.

Fairness

Jiashi Gao, Ziwei Wang, Xiangyu Zhao, Xin Yao, Xuetao Wei

Federated learning (FL) offers a machine learning paradigm that protects privacy, allowing multiple clients to collaboratively train a global model while only accessing their local data. Recent research in FL has increasingly focused on improving the uniformity of model performance across clients, a fairness principle known as egalitarian fairness. However, achieving egalitarian fairness in FL may sacrifice the model performance for data-rich clients to benefit those with less data. This trade-off raises concerns about the stability of FL, as data-rich clients may opt to leave the current coalition and join another that is more closely aligned with its expected high performance. In this context, our work rigorously addresses the critical concern: **Does egalitarian fairness lead to instability?** Drawing from game theory and social choice theory, we initially characterize fair FL systems as altruism coalition formation games (ACFGs) and reveal that the instability issues emerging from the pursuit of egalitarian fairness are significantly related to the clients’ altruism within the coalition and the configuration of the friends-relationship networks among the clients. Then, we theoretically propose the optimal egalitarian fairness bounds that an FL coalition can achieve while maintaining core stability under various types of altruistic behaviors. The theoretical contributions clarify the quantitative relationships between achievable egalitarian fairness and the disparities in the sizes of local datasets, disproving the misconception that egalitarian fairness inevitably leads to instability. Finally, we conduct experiments to evaluate the consistency of our theoretically derived egalitarian fairness bounds with the empirically achieved egalitarian fairness in fair FL settings.

Language

Da Yin, Haoyi Qiu, Kung-Hsiang Huang, Kai-Wei Chang, Nanyun Peng

In the rapidly evolving field of Large Language Models (LLMs), ensuring safety is a crucial and widely discussed topic. However, existing works often overlooks the geo-diversity of cultural and legal standards across the world. To reveal the chal5 lenges posed by geo-diverse safety standards, we introduce SafeWorld, a novel benchmark specifically designed to evaluate LLMs’ ability to generate responses that are not only helpful but also culturally sensitive and legally compliant across diverse global contexts. SafeWorld encompasses 2,775 test user queries, each grounded in high-quality, human-verified cultural norms and legal policies from 50 countries and 493 regions/races. On top of it, we propose a multi-dimensional automatic safety evaluation framework that assesses the contextual appropriateness, accuracy, and comprehensiveness of responses. Our evaluations reveal that current LLMs struggle to meet these criteria effectively. To enhance LLMs’ alignment with geo-diverse safety standards, we synthesize helpful preference pairs for Direct Preference Optimization (DPO) alignment. The preference pair construction aims to encourage LLMs to behave appropriately and provide precise references to relevant cultural norms and policies when necessary. Our trained SafeWorldLM outperforms all competing models, including GPT-4o on all the three evaluation dimensions by a large margin. Global human evaluators also note a nearly 20% higher winning rate in helpfulness and harmfulness evaluation.

Optimization · Convex

Aaron Mishkin, Ahmed Khaled, Yuanhao Wang, Aaron Defazio, Robert Gower

We develop new sub-optimality bounds for gradient descent (GD) that depend on the conditioning of the objective along the path of optimization, rather than on global, worst-case constants. Key to our proofs is directional smoothness, a measure of gradient variation that we use to develop upper-bounds on the objective. Minimizing these upper-bounds requires solving implicit equations to obtain a sequence of strongly adapted step-sizes; we show that these equations are straightforward to solve for convex quadratics and lead to new guarantees for two classical step-sizes. For general functions, we prove that the Polyak step-size and normalized GD obtain fast, path-dependent rates despite using no knowledge of the directional smoothness. Experiments on logistic regression show our convergence guarantees are tighter than the classical theory based on $L$-smoothness.

Probabilistic Methods

Pei-Yau Weng, Minh Hoang, Lam Nguyen, My T. Thai, Lily Weng, Nghia Hoang

Fine-tuning pre-trained models is a popular approach in machine learning for solving complex tasks with moderate data. However, fine-tuning the entire pre-trained model is ineffective in federated data scenarios where local data distributions are diversely skewed. To address this, we explore integrating federated learning with a more effective prompt-tuning method, optimizing for a small set of input prefixes to reprogram the pre-trained model's behavior. Our approach transforms federated learning into a distributed set modeling task, aggregating diverse sets of prompts to globally fine-tune the pre-trained model. We benchmark various baselines based on direct adaptations of existing federated model aggregation techniques and introduce a new probabilistic prompt aggregation method that substantially outperforms these baselines. Our reported results on a variety of computer vision datasets confirm that the proposed method is most effective to combat extreme data heterogeneity in federated learning.

Deep Learning · Algorithms

Yongzhe Jia, Xuyun Zhang, Hongsheng Hu, Kim-Kwang Raymond Choo, Lianyong Qi, Xiaolong Xu, Amin Beheshti, Wanchun Dou

Federated learning (FL) has emerged as a prominent machine learning paradigm in edge computing environments, enabling edge devices to collaboratively optimize a global model without sharing their private data. However, existing FL frameworks suffer from efficacy deterioration due to the system heterogeneity inherent in edge computing, especially in the presence of domain shifts across local data. In this paper, we propose a heterogeneous FL framework DapperFL, to enhance model performance across multiple domains. In DapperFL, we introduce a dedicated Model Fusion Pruning (MFP) module to produce personalized compact local models for clients to address the system heterogeneity challenges. The MFP module prunes local models with fused knowledge obtained from both local and remaining domains, ensuring robustness to domain shifts. Additionally, we design a Domain Adaptive Regularization (DAR) module to further improve the overall performance of DapperFL. The DAR module employs regularization generated by the pruned model, aiming to learn robust representations across domains. Furthermore, we introduce a specific aggregation algorithm for aggregating heterogeneous local models with tailored architectures and weights. We implement DapperFL on a real-world FL platform with heterogeneous clients. Experimental results on benchmark datasets with multiple domains demonstrate that DapperFL outperforms several state-of-the-art FL frameworks by up to 2.28%, while significantly achieving model volume reductions ranging from 20% to 80%. Our code is available at: https://github.com/jyzgh/DapperFL.

Theory · Domain Adaptation and Transfer Learning

Evelyn Ma, Chao Pan, S. Rasoul Etesami, Han Zhao, Olgica Milenkovic

The performance of Transfer Learning (TL) significantly depends on effective pretraining, which not only requires extensive amounts of data but also substantial computational resources. As a result, in practice, it is challenging to successfully perform TL at the level of individual model developers. Federated Learning (FL) addresses these challenges by enabling collaboration among individual clients through an indirect expansion of the available dataset, distribution of the computation burden across different entities, and privacy-preserving communication mechanisms. Despite several attempts to devise effective transferable FL approaches, several important issues remain unsolved. First, existing methods in this setting primarily focus on optimizing transferability within their local client domains, thereby ignoring transferability over the global learning domain. Second, most approaches focus on analyzing indirect transferability metrics, which does not allow for accurate assessment of the final target loss and extent of transferability. To address these issues, we introduce two important FL features into the model. The first boosts transferability via an exchange protocol between the clients and the server that includes information about cross-client Jacobian (gradient) norms. The second feature promotes an increase of the average of the Jacobians of the clients at the server side, which is subsequently used as a local regularizer that reduces the cross-client Jacobian variance. A rigorous analysis of our transferable federated algorithm, termed FedGTST (Federated Global Transferability via Statistics Tuning), reveals that increasing the averaged Jacobian norm across clients and reducing its variance ensures tight control of the target loss. This insight leads to the first known upper bound on the target loss of transferable federated learning in terms of the source loss and source-target domain discrepancy. Extensive experimental results on datasets including MNIST → MNIST-M and CIFAR10 → SVHN suggest that FedGTST significantly outperforms other relevant baselines, such as FedSR. For example, on the second source-target dataset pair, we improve the accuracy of FedSR by 9.8% and that of FedIIR by 7.6% when the backbone used is LeNet.

Computer Vision

Cuong Le, John Viktor Johansson, Manon Kok, Bastian Wandt

Human motion capture from monocular videos has made significant progress in recent years. However, modern approaches often produce temporal artifacts, e.g. in form of jittery motion and struggle to achieve smooth and physically plausible motions. Explicitly integrating physics, in form of internal forces and exterior torques, helps alleviating these artifacts. Current state-of-the-art approaches make use of an automatic PD controller to predict torques and reaction forces in order to re-simulate the input kinematics, i.e. the joint angles of a predefined skeleton. However, due to imperfect physical models, these methods often require simplifying assumptions and extensive preprocessing of the input kinematics to achieve good performance. To this end, we propose a novel method to selectively incorporate the physics models with the kinematics observations in an online setting, inspired by a neural Kalman-filtering approach. We develop a control loop as a meta-PD controller to predict internal joint torques and external reaction forces, followed by a physics-based motion simulation. A recurrent neural network is introduced to realize a Kalman filter that attentively balances the kinematics input and simulated motion, resulting in an optimal-state dynamics prediction. We show that this filtering step is crucial to provide an online supervision that helps balancing the shortcoming of the respective input motions, thus being important for not only capturing accurate global motion trajectories but also producing physically plausible human poses. The proposed approach excels in the physics-based human pose estimation task and demonstrates the physical plausibility of the predictive dynamics, compared to state of the art. The code is available on https://github.com/cuongle1206/OSDCap.

Deep Learning · Attention Mechanisms

Bingqing Song, Boran Han, Shuai Zhang, Jie Ding, Mingyi Hong

While the Transformer architecture has achieved remarkable success across various domains, a thorough theoretical foundation explaining its optimization dynamics is yet to be fully developed. In this study, we aim to bridge this understanding gap by answering the following two core questions: (1) Which types of Transformer architectures allow Gradient Descent (GD) to achieve guaranteed convergence? and (2) Under what initial conditions and architectural specifics does the Transformer achieve rapid convergence during training? By analyzing the loss landscape of a single Transformer layer using Softmax and Gaussian attention kernels, our work provides concrete answers to these questions. Our findings demonstrate that, with appropriate weight initialization, GD can train a Transformer model (with either kernel type) to achieve a global optimal solution, especially when the input embedding dimension is large. Nonetheless, certain scenarios highlight potential pitfalls: training a Transformer using the Softmax attention kernel may sometimes lead to suboptimal local solutions. In contrast, the Gaussian attention kernel exhibits a much favorable behavior. Our empirical study further validate the theoretical findings.

Generative Models · In Context Learning

Wenyang Hu, Yao Shu, Zongmin Yu, Zhaoxuan Wu, Xiaoqiang Lin, Zhongxiang Dai, See-Kiong Ng, Bryan Kian Hsiang Low

The efficacy of large language models (LLMs) in understanding and generating natural language has aroused a wide interest in developing prompt-based methods to harness the power of black-box LLMs. Existing methodologies usually prioritize a global optimization for finding the global optimum, which however will perform poorly in certain tasks. This thus motivates us to re-think the necessity of finding a global optimum in prompt optimization. To answer this, we conduct a thorough empirical study on prompt optimization and draw two major insights. Contrasting with the rarity of global optimum, local optima are usually prevalent and well-performed, which can be more worthwhile for efficient prompt optimization (**Insight I**). The choice of the input domain, covering both the generation and the representation of prompts, affects the identification of well-performing local optima (**Insight II**). Inspired by these insights, we propose a novel algorithm, namely localized zeroth-order prompt optimization (ZOPO), which incorporates a Neural Tangent Kernel-based derived Gaussian process into standard zeroth-order optimization for an efficient search of well-performing local optima in prompt optimization. Remarkably, ZOPO outperforms existing baselines in terms of both the optimization performance and the query efficiency, which we demonstrate through extensive experiments.

Optimization · Optimization and Learning under Uncertainty

Theodore Brown, Alexandru Cioba, Ilija Bogunovic

Bayesian optimisation (BO) is a powerful framework for global optimisation of costly functions, using predictions from Gaussian process models (GPs). In this work, we apply BO to functions that exhibit invariance to a known group of transformations. We show that vanilla and constrained BO algorithms are inefficient when optimising such invariant objectives, and provide a method for incorporating group invariances into the kernel of the GP to produce invariance-aware algorithms that achieve significant improvements in sample efficiency. We derive a bound on the maximum information gain of these invariant kernels, and provide novel upper and lower bounds on the number of observations required for invariance-aware BO algorithms to achieve $\epsilon$-optimality. We demonstrate our method's improved performance on a range of synthetic invariant and quasi-invariant functions. We also apply our method in the case where only some of the invariance is incorporated into the kernel, and find that these kernels achieve similar gains in sample efficiency at significantly reduced computational cost. Finally, we use invariant BO to design a current drive system for a nuclear fusion reactor, finding a high-performance solution where non-invariant methods failed.

Optimization · Discrete and Combinatorial Optimization

Zhi Zheng, Changliang Zhou, Tong Xialiang, Mingxuan Yuan, Zhenkun Wang

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master

Learning Theory

Ayoub El Hanchi, Chris Maddison, Murat Erdogdu

Given a collection of feature maps indexed by a set $\mathcal{T}$, we study the performance of empirical risk minimization (ERM) on regression problems with square loss over the union of the linear classes induced by these feature maps. This setup aims at capturing the simplest instance of feature learning, where the model is expected to jointly learn from the data an appropriate feature map and a linear predictor. We start by studying the asymptotic quantiles of the excess risk of sequences of empirical risk minimizers. Remarkably, we show that when the set $\mathcal{T}$ is not too large and when there is a unique optimal feature map, these quantiles coincide, up to a factor of two, with those of the excess risk of the oracle procedure, which knows a priori this optimal feature map and deterministically outputs an empirical risk minimizer from the associated optimal linear class. We complement this asymptotic result with a non-asymptotic analysis that quantifies the decaying effect of the global complexity of the set $\mathcal{T}$ on the excess risk of ERM, and relates it to the size of the sublevel sets of the suboptimality of the feature maps. As an application of our results, we characterize the performance of the best subset selection procedure in sparse linear regression under general assumptions.

Optimization · Convex

Junyu Chen, Binh T. Nguyen, Shang Koh, Yong Sheng Soh

The Gromov-Wasserstein (GW) distance is an extension of the optimal transport problem that allows one to match objects between incomparable spaces. At its core, the GW distance is specified as the solution of a non-convex quadratic program and is not known to be tractable to solve. In particular, existing solvers for the GW distance are only able to find locally optimal solutions. In this work, we propose a semi-definite programming (SDP) relaxation of the GW distance. The relaxation can be viewed as the Lagrangian dual of the GW distance augmented with constraints that relate to the linear and quadratic terms of transportation plans. In particular, our relaxation provides a tractable (polynomial-time) algorithm to compute globally optimal transportation plans (in some instances) together with an accompanying proof of global optimality. Our numerical experiments suggest that the proposed relaxation is strong in that it frequently computes the globally optimal solution. Our Python implementation is available at https://github.com/tbng/gwsdp.

Guangji Bai, Yijiang Li, Chen LING, Kibaek Kim, Liang Zhao

The transformative impact of large language models (LLMs) like LLaMA and GPT on natural language processing is countered by their prohibitive computational demands. Pruning has emerged as a pivotal compression strategy, introducing sparsity to enhance both memory and computational efficiency. Yet, traditional global pruning is impractical for LLMs due to scalability issues, while local pruning, despite its efficiency, leads to suboptimal solutions. Addressing these challenges, we propose *SparseLLM*, a novel framework that redefines the global pruning process into manageable, coordinated subproblems, allowing for resource-efficient optimization with global optimality. SparseLLM's approach, which conceptualizes LLMs as a chain of modular functions and leverages auxiliary variables for problem decomposition, not only facilitates a pragmatic application on LLMs but also demonstrates significant performance improvements, particularly in high-sparsity regimes where it surpasses current state-of-the-art methods. Our source code is publicly available at https://github.com/BaiTheBest/SparseLLM.

Probabilistic Methods

Egor Gladin, Pavel Dvurechenskii, Alexander Mielke, Jia-Jie Zhu

This paper presents a new gradient flow dissipation geometry over non-negative and probability measures.This is motivated by a principled construction that combines the unbalanced optimal transport and interaction forces modeled by reproducing kernels. Using a precise connection between the Hellinger geometry and the maximum mean discrepancy (MMD), we propose the interaction-force transport (IFT) gradient flows and its spherical variant via an infimal convolution of the Wasserstein and spherical MMD tensors. We then develop a particle-based optimization algorithm based on the JKO-splitting scheme of the mass-preserving spherical IFT gradient flows. Finally, we provide both theoretical global exponential convergence guarantees and improved empirical simulation results for applying the IFT gradient flows to the sampling task of MMD-minimization. Furthermore, we prove that the spherical IFT gradient flow enjoys the best of both worlds by providing the global exponential convergence guarantee for both the MMD and KL energy.