Daily Papers

In this work, we present EchoGen, a unified framework for layout-to-image generation and image grounding, capable of generating images with accurate layouts and high fidelity to text descriptions (e.g., spatial relationships), while grounding the image robustly at the same time. We believe that image grounding possesses strong text and layout understanding abilities, which can compensate for the corresponding limitations in layout-to-image generation. At the same time, images generated from layouts exhibit high diversity in content, thereby enhancing the robustness of image grounding. Jointly training both tasks within a unified model can promote performance improvements for each. However, we identify that this joint training paradigm encounters several optimization challenges and results in restricted performance. To address these issues, we propose progressive training strategies. First, the Parallel Multi-Task Pre-training (PMTP) stage equips the model with basic abilities for both tasks, leveraging shared tokens to accelerate training. Next, the Dual Joint Optimization (DJO) stage exploits task duality to sequentially integrate the two tasks, enabling unified optimization. Finally, the Cycle RL stage eliminates reliance on visual supervision by using consistency constraints as rewards, significantly enhancing the model's unified capabilities via the GRPO strategy. Extensive experiments demonstrate state-of-the-art results on both layout-to-image generation and image grounding benchmarks, and reveal clear synergistic gains from optimizing the two tasks together.

We present a Multimodal Backdoor Defense technique TIJO (Trigger Inversion using Joint Optimization). Recent work arXiv:2112.07668 has demonstrated successful backdoor attacks on multimodal models for the Visual Question Answering task. Their dual-key backdoor trigger is split across two modalities (image and text), such that the backdoor is activated if and only if the trigger is present in both modalities. We propose TIJO that defends against dual-key attacks through a joint optimization that reverse-engineers the trigger in both the image and text modalities. This joint optimization is challenging in multimodal models due to the disconnected nature of the visual pipeline which consists of an offline feature extractor, whose output is then fused with the text using a fusion module. The key insight enabling the joint optimization in TIJO is that the trigger inversion needs to be carried out in the object detection box feature space as opposed to the pixel space. We demonstrate the effectiveness of our method on the TrojVQA benchmark, where TIJO improves upon the state-of-the-art unimodal methods from an AUC of 0.6 to 0.92 on multimodal dual-key backdoors. Furthermore, our method also improves upon the unimodal baselines on unimodal backdoors. We present ablation studies and qualitative results to provide insights into our algorithm such as the critical importance of overlaying the inverted feature triggers on all visual features during trigger inversion. The prototype implementation of TIJO is available at https://github.com/SRI-CSL/TIJO.

Modern high-scoring models of vision in the brain score competition do not stem from Vision Transformers. However, in this paper, we provide evidence against the unexpected trend of Vision Transformers (ViT) being not perceptually aligned with human visual representations by showing how a dual-stream Transformer, a CrossViT~a la Chen et al. (2021), under a joint rotationally-invariant and adversarial optimization procedure yields 2nd place in the aggregate Brain-Score 2022 competition(Schrimpf et al., 2020b) averaged across all visual categories, and at the time of the competition held 1st place for the highest explainable variance of area V4. In addition, our current Transformer-based model also achieves greater explainable variance for areas V4, IT and Behaviour than a biologically-inspired CNN (ResNet50) that integrates a frontal V1-like computation module (Dapello et al.,2020). To assess the contribution of the optimization scheme with respect to the CrossViT architecture, we perform several additional experiments on differently optimized CrossViT's regarding adversarial robustness, common corruption benchmarks, mid-ventral stimuli interpretation and feature inversion. Against our initial expectations, our family of results provides tentative support for an "All roads lead to Rome" argument enforced via a joint optimization rule even for non biologically-motivated models of vision such as Vision Transformers. Code is available at https://github.com/williamberrios/BrainScore-Transformers

Normalizing flow models have been used successfully for generative image super-resolution (SR) by approximating complex distribution of natural images to simple tractable distribution in latent space through Invertible Neural Networks (INN). These models can generate multiple realistic SR images from one low-resolution (LR) input using randomly sampled points in the latent space, simulating the ill-posed nature of image upscaling where multiple high-resolution (HR) images correspond to the same LR. Lately, the invertible process in INN has also been used successfully by bidirectional image rescaling models like IRN and HCFlow for joint optimization of downscaling and inverse upscaling, resulting in significant improvements in upscaled image quality. While they are optimized for image downscaling too, the ill-posed nature of image downscaling, where one HR image could be downsized to multiple LR images depending on different interpolation kernels and resampling methods, is not considered. A new downscaling latent variable, in addition to the original one representing uncertainties in image upscaling, is introduced to model variations in the image downscaling process. This dual latent variable enhancement is applicable to different image rescaling models and it is shown in extensive experiments that it can improve image upscaling accuracy consistently without sacrificing image quality in downscaled LR images. It is also shown to be effective in enhancing other INN-based models for image restoration applications like image hiding.

We present DreamAvatar, a text-and-shape guided framework for generating high-quality 3D human avatars with controllable poses. While encouraging results have been reported by recent methods on text-guided 3D common object generation, generating high-quality human avatars remains an open challenge due to the complexity of the human body's shape, pose, and appearance. We propose DreamAvatar to tackle this challenge, which utilizes a trainable NeRF for predicting density and color for 3D points and pretrained text-to-image diffusion models for providing 2D self-supervision. Specifically, we leverage the SMPL model to provide shape and pose guidance for the generation. We introduce a dual-observation-space design that involves the joint optimization of a canonical space and a posed space that are related by a learnable deformation field. This facilitates the generation of more complete textures and geometry faithful to the target pose. We also jointly optimize the losses computed from the full body and from the zoomed-in 3D head to alleviate the common multi-face ''Janus'' problem and improve facial details in the generated avatars. Extensive evaluations demonstrate that DreamAvatar significantly outperforms existing methods, establishing a new state-of-the-art for text-and-shape guided 3D human avatar generation.

Current dense text retrieval models face two typical challenges. First, they adopt a siamese dual-encoder architecture to encode queries and documents independently for fast indexing and searching, while neglecting the finer-grained term-wise interactions. This results in a sub-optimal recall performance. Second, their model training highly relies on a negative sampling technique to build up the negative documents in their contrastive losses. To address these challenges, we present Adversarial Retriever-Ranker (AR2), which consists of a dual-encoder retriever plus a cross-encoder ranker. The two models are jointly optimized according to a minimax adversarial objective: the retriever learns to retrieve negative documents to cheat the ranker, while the ranker learns to rank a collection of candidates including both the ground-truth and the retrieved ones, as well as providing progressive direct feedback to the dual-encoder retriever. Through this adversarial game, the retriever gradually produces harder negative documents to train a better ranker, whereas the cross-encoder ranker provides progressive feedback to improve retriever. We evaluate AR2 on three benchmarks. Experimental results show that AR2 consistently and significantly outperforms existing dense retriever methods and achieves new state-of-the-art results on all of them. This includes the improvements on Natural Questions R@5 to 77.9%(+2.1%), TriviaQA R@5 to 78.2%(+1.4), and MS-MARCO MRR@10 to 39.5%(+1.3%). Code and models are available at https://github.com/microsoft/AR2.

Visual illusions traditionally rely on spatial manipulations such as multi-view consistency. In this work, we introduce Progressive Semantic Illusions, a novel vector sketching task where a single sketch undergoes a dramatic semantic transformation through the sequential addition of strokes. We present Stroke of Surprise, a generative framework that optimizes vector strokes to satisfy distinct semantic interpretations at different drawing stages. The core challenge lies in the "dual-constraint": initial prefix strokes must form a coherent object (e.g., a duck) while simultaneously serving as the structural foundation for a second concept (e.g., a sheep) upon adding delta strokes. To address this, we propose a sequence-aware joint optimization framework driven by a dual-branch Score Distillation Sampling (SDS) mechanism. Unlike sequential approaches that freeze the initial state, our method dynamically adjusts prefix strokes to discover a "common structural subspace" valid for both targets. Furthermore, we introduce a novel Overlay Loss that enforces spatial complementarity, ensuring structural integration rather than occlusion. Extensive experiments demonstrate that our method significantly outperforms state-of-the-art baselines in recognizability and illusion strength, successfully expanding visual anagrams from the spatial to the temporal dimension. Project page: https://stroke-of-surprise.github.io/

Industrial-scale user representation learning requires balancing robust universality with acute task-sensitivity. However, existing paradigms primarily yield static, task-agnostic embeddings that struggle to reconcile the divergent requirements of downstream scenarios within unified vector spaces. Furthermore, heterogeneous multi-source data introduces inherent noise and modality conflicts, degrading representation. We propose Query-as-Anchor, a framework shifting user modeling from static encoding to dynamic, query-aware synthesis. To empower Large Language Models (LLMs) with deep user understanding, we first construct UserU, an industrial-scale pre-training dataset that aligns multi-modal behavioral sequences with user understanding semantics, and our Q-Anchor Embedding architecture integrates hierarchical coarse-to-fine encoders into dual-tower LLMs via joint contrastive-autoregressive optimization for query-aware user representation. To bridge the gap between general pre-training and specialized business logic, we further introduce Cluster-based Soft Prompt Tuning to enforce discriminative latent structures, effectively aligning model attention with scenario-specific modalities. For deployment, anchoring queries at sequence termini enables KV-cache-accelerated inference with negligible incremental latency. Evaluations on 10 Alipay industrial benchmarks show consistent SOTA performance, strong scalability, and efficient deployment. Large-scale online A/B testing in Alipay's production system across two real-world scenarios further validates its practical effectiveness. Our code is prepared for public release and will be available at: https://github.com/JhCircle/Q-Anchor.

This study addresses the issue of fusing infrared and visible images that appear differently for object detection. Aiming at generating an image of high visual quality, previous approaches discover commons underlying the two modalities and fuse upon the common space either by iterative optimization or deep networks. These approaches neglect that modality differences implying the complementary information are extremely important for both fusion and subsequent detection task. This paper proposes a bilevel optimization formulation for the joint problem of fusion and detection, and then unrolls to a target-aware Dual Adversarial Learning (TarDAL) network for fusion and a commonly used detection network. The fusion network with one generator and dual discriminators seeks commons while learning from differences, which preserves structural information of targets from the infrared and textural details from the visible. Furthermore, we build a synchronized imaging system with calibrated infrared and optical sensors, and collect currently the most comprehensive benchmark covering a wide range of scenarios. Extensive experiments on several public datasets and our benchmark demonstrate that our method outputs not only visually appealing fusion but also higher detection mAP than the state-of-the-art approaches.

Diffusion models have achieved remarkable success in image generation and editing tasks. Inversion within these models aims to recover the latent noise representation for a real or generated image, enabling reconstruction, editing, and other downstream tasks. However, to date, most inversion approaches suffer from an intrinsic trade-off between reconstruction accuracy and editing flexibility. This limitation arises from the difficulty of maintaining both semantic alignment and structural consistency during the inversion process. In this work, we introduce Dual-Conditional Inversion (DCI), a novel framework that jointly conditions on the source prompt and reference image to guide the inversion process. Specifically, DCI formulates the inversion process as a dual-condition fixed-point optimization problem, minimizing both the latent noise gap and the reconstruction error under the joint guidance. This design anchors the inversion trajectory in both semantic and visual space, leading to more accurate and editable latent representations. Our novel setup brings new understanding to the inversion process. Extensive experiments demonstrate that DCI achieves state-of-the-art performance across multiple editing tasks, significantly improving both reconstruction quality and editing precision. Furthermore, we also demonstrate that our method achieves strong results in reconstruction tasks, implying a degree of robustness and generalizability approaching the ultimate goal of the inversion process.

Recent strides in video generation have paved the way for unified audio-visual generation. In this work, we present Seedance 1.5 pro, a foundational model engineered specifically for native, joint audio-video generation. Leveraging a dual-branch Diffusion Transformer architecture, the model integrates a cross-modal joint module with a specialized multi-stage data pipeline, achieving exceptional audio-visual synchronization and superior generation quality. To ensure practical utility, we implement meticulous post-training optimizations, including Supervised Fine-Tuning (SFT) on high-quality datasets and Reinforcement Learning from Human Feedback (RLHF) with multi-dimensional reward models. Furthermore, we introduce an acceleration framework that boosts inference speed by over 10X. Seedance 1.5 pro distinguishes itself through precise multilingual and dialect lip-syncing, dynamic cinematic camera control, and enhanced narrative coherence, positioning it as a robust engine for professional-grade content creation. Seedance 1.5 pro is now accessible on Volcano Engine at https://console.volcengine.com/ark/region:ark+cn-beijing/experience/vision?type=GenVideo.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies. DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems. The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality. It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers. The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems. The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.

The growing safety concerns surrounding large language models raise an urgent need to align them with diverse human preferences to simultaneously enhance their helpfulness and safety. A promising approach is to enforce safety constraints through Reinforcement Learning from Human Feedback (RLHF). For such constrained RLHF, typical Lagrangian-based primal-dual policy optimization methods are computationally expensive and often unstable. This paper presents a perspective of dualization that reduces constrained alignment to an equivalent unconstrained alignment problem. We do so by pre-optimizing a smooth and convex dual function that has a closed form. This shortcut eliminates the need for cumbersome primal-dual policy iterations, greatly reducing the computational burden and improving training stability. Our strategy leads to two practical algorithms in model-based and preference-based settings (MoCAN and PeCAN, respectively). A broad range of experiments demonstrate the effectiveness and merits of our algorithms.

Primal-dual safe RL methods commonly perform iterations between the primal update of the policy and the dual update of the Lagrange Multiplier. Such a training paradigm is highly susceptible to the error in cumulative cost estimation since this estimation serves as the key bond connecting the primal and dual update processes. We show that this problem causes significant underestimation of cost when using off-policy methods, leading to the failure to satisfy the safety constraint. To address this issue, we propose conservative policy optimization, which learns a policy in a constraint-satisfying area by considering the uncertainty in cost estimation. This improves constraint satisfaction but also potentially hinders reward maximization. We then introduce local policy convexification to help eliminate such suboptimality by gradually reducing the estimation uncertainty. We provide theoretical interpretations of the joint coupling effect of these two ingredients and further verify them by extensive experiments. Results on benchmark tasks show that our method not only achieves an asymptotic performance comparable to state-of-the-art on-policy methods while using much fewer samples, but also significantly reduces constraint violation during training. Our code is available at https://github.com/ZifanWu/CAL.

This work puts forth a new optimal design formulation for planar elastic membranes. The goal is to minimize the membrane's compliance through choosing the material distribution described by a positive Radon measure. The deformation of the membrane itself is governed by the convexified F\"{o}ppl's model. The uniqueness of this model lies in the convexity of its variational formulation despite the inherent nonlinearity of the strain-displacement relation. It makes it possible to rewrite the optimization problem as a pair of mutually dual convex variational problems. In the primal problem a linear functional is maximized with respect to displacement functions while enforcing that point-wisely the strain lies in an unbounded closed convex set. The dual problem consists in finding equilibrated stresses that are to minimize a convex integral functional of linear growth defined on the space of Radon measures. The pair of problems is analysed: existence and regularity results are provided, together with the system of optimality criteria. To demonstrate the computational potential of the pair, a finite element scheme is developed around it. Upon reformulation to a conic-quadratic & semi-definite programming problem, the method is employed to produce numerical simulations for several load case scenarios.

The goal of reinforcement learning (RL) is to find a policy that maximizes the expected cumulative return. It has been shown that this objective can be represented as an optimization problem of state-action visitation distribution under linear constraints. The dual problem of this formulation, which we refer to as dual RL, is unconstrained and easier to optimize. In this work, we first cast several state-of-the-art offline RL and offline imitation learning (IL) algorithms as instances of dual RL approaches with shared structures. Such unification allows us to identify the root cause of the shortcomings of prior methods. For offline IL, our analysis shows that prior methods are based on a restrictive coverage assumption that greatly limits their performance in practice. To fix this limitation, we propose a new discriminator-free method ReCOIL that learns to imitate from arbitrary off-policy data to obtain near-expert performance. For offline RL, our analysis frames a recent offline RL method XQL in the dual framework, and we further propose a new method f-DVL that provides alternative choices to the Gumbel regression loss that fixes the known training instability issue of XQL. The performance improvements by both of our proposed methods, ReCOIL and f-DVL, in IL and RL are validated on an extensive suite of simulated robot locomotion and manipulation tasks. Project code and details can be found at this https://hari-sikchi.github.io/dual-rl.

The Base-New Trade-off (BNT) problem universally exists during the optimization of CLIP-based prompt tuning, where continuous fine-tuning on base (target) classes leads to a simultaneous decrease of generalization ability on new (unseen) classes. Existing approaches attempt to regulate the prompt tuning process to balance BNT by appending constraints. However, imposed on the same target prompt, these constraints fail to fully avert the mutual exclusivity between the optimization directions for base and new. As a novel solution to this challenge, we propose the plug-and-play Dual-Prompt Collaboration (DPC) framework, the first that decoupling the optimization processes of base and new tasks at the prompt level. Specifically, we clone a learnable parallel prompt based on the backbone prompt, and introduce a variable Weighting-Decoupling framework to independently control the optimization directions of dual prompts specific to base or new tasks, thus avoiding the conflict in generalization. Meanwhile, we propose a Dynamic Hard Negative Optimizer, utilizing dual prompts to construct a more challenging optimization task on base classes for enhancement. For interpretability, we prove the feature channel invariance of the prompt vector during the optimization process, providing theoretical support for the Weighting-Decoupling of DPC. Extensive experiments on multiple backbones demonstrate that DPC can significantly improve base performance without introducing any external knowledge beyond the base classes, while maintaining generalization to new classes. Code is available at: https://github.com/JREion/DPC.

Stochastic dual dynamic programming (SDDP) is a state-of-the-art method for solving multi-stage stochastic optimization, widely used for modeling real-world process optimization tasks. Unfortunately, SDDP has a worst-case complexity that scales exponentially in the number of decision variables, which severely limits applicability to only low dimensional problems. To overcome this limitation, we extend SDDP by introducing a trainable neural model that learns to map problem instances to a piece-wise linear value function within intrinsic low-dimension space, which is architected specifically to interact with a base SDDP solver, so that can accelerate optimization performance on new instances. The proposed Neural Stochastic Dual Dynamic Programming (nu-SDDP) continually self-improves by solving successive problems. An empirical investigation demonstrates that nu-SDDP can significantly reduce problem solving cost without sacrificing solution quality over competitors such as SDDP and reinforcement learning algorithms, across a range of synthetic and real-world process optimization problems.

Recent advances in large vision-language models (LVLMs) have shown promise for embodied task planning, yet they struggle with fundamental challenges like dependency constraints and efficiency. Existing approaches either solely optimize action selection or leverage world models during inference, overlooking the benefits of learning to model the world as a way to enhance planning capabilities. We propose Dual Preference Optimization (D^2PO), a new learning framework that jointly optimizes state prediction and action selection through preference learning, enabling LVLMs to understand environment dynamics for better planning. To automatically collect trajectories and stepwise preference data without human annotation, we introduce a tree search mechanism for extensive exploration via trial-and-error. Extensive experiments on VoTa-Bench demonstrate that our D^2PO-based method significantly outperforms existing methods and GPT-4o when applied to Qwen2-VL (7B), LLaVA-1.6 (7B), and LLaMA-3.2 (11B), achieving superior task success rates with more efficient execution paths.

We present DuPO, a dual learning-based preference optimization framework that generates annotation-free feedback via a generalized duality. DuPO addresses two key limitations: Reinforcement Learning with Verifiable Rewards (RLVR)'s reliance on costly labels and applicability restricted to verifiable tasks, and traditional dual learning's restriction to strictly dual task pairs (e.g., translation and back-translation). Specifically, DuPO decomposes a primal task's input into known and unknown components, then constructs its dual task to reconstruct the unknown part using the primal output and known information (e.g., reversing math solutions to recover hidden variables), broadening applicability to non-invertible tasks. The quality of this reconstruction serves as a self-supervised reward to optimize the primal task, synergizing with LLMs' ability to instantiate both tasks via a single model. Empirically, DuPO achieves substantial gains across diverse tasks: it enhances the average translation quality by 2.13 COMET over 756 directions, boosts the mathematical reasoning accuracy by an average of 6.4 points on three challenge benchmarks, and enhances performance by 9.3 points as an inference-time reranker (trading computation for accuracy). These results position DuPO as a scalable, general, and annotation-free paradigm for LLM optimization.

We investigate a primal-dual (PD) method for the saddle point problem (SPP) that uses a linear approximation of the primal function instead of the standard proximal step, resulting in a linearized PD (LPD) method. For convex-strongly concave SPP, we observe that the LPD method has a suboptimal dependence on the Lipschitz constant of the primal function. To fix this issue, we combine features of Accelerated Gradient Descent with the LPD method resulting in a single-loop Accelerated Linearized Primal-Dual (ALPD) method. ALPD method achieves the optimal gradient complexity when the SPP has a semi-linear coupling function. We also present an inexact ALPD method for SPPs with a general nonlinear coupling function that maintains the optimal gradient evaluations of the primal parts and significantly improves the gradient evaluations of the coupling term compared to the ALPD method. We verify our findings with numerical experiments.

Multi-objective optimization problems are ubiquitous in robotics, e.g., the optimization of a robot manipulation task requires a joint consideration of grasp pose configurations, collisions and joint limits. While some demands can be easily hand-designed, e.g., the smoothness of a trajectory, several task-specific objectives need to be learned from data. This work introduces a method for learning data-driven SE(3) cost functions as diffusion models. Diffusion models can represent highly-expressive multimodal distributions and exhibit proper gradients over the entire space due to their score-matching training objective. Learning costs as diffusion models allows their seamless integration with other costs into a single differentiable objective function, enabling joint gradient-based motion optimization. In this work, we focus on learning SE(3) diffusion models for 6DoF grasping, giving rise to a novel framework for joint grasp and motion optimization without needing to decouple grasp selection from trajectory generation. We evaluate the representation power of our SE(3) diffusion models w.r.t. classical generative models, and we showcase the superior performance of our proposed optimization framework in a series of simulated and real-world robotic manipulation tasks against representative baselines.

Consistency-based generative models like Shortcut and MeanFlow achieve impressive results via a target-aware design for solving the Probability Flow ODE (PF-ODE). Typically, such methods introduce a target time r alongside the current time t to modulate outputs between a local multi-step derivative (r = t) and a global few-step integral (r = 0). However, the conventional "one input, one output" paradigm enforces a partition of the training budget, often allocating a significant portion (e.g., 75% in MeanFlow) solely to the multi-step objective for stability. This separation forces a trade-off: allocating sufficient samples to the multi-step objective leaves the few-step generation undertrained, which harms convergence and limits scalability. To this end, we propose Duality Models (DuMo) via a "one input, dual output" paradigm. Using a shared backbone with dual heads, DuMo simultaneously predicts velocity v_t and flow-map u_t from a single input x_t. This applies geometric constraints from the multi-step objective to every sample, bounding the few-step estimation without separating training objectives, thereby significantly improving stability and efficiency. On ImageNet 256 times 256, a 679M Diffusion Transformer with SD-VAE achieves a state-of-the-art (SOTA) FID of 1.79 in just 2 steps. Code is available at: https://github.com/LINs-lab/DuMo

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

Exploiting partial first-order information in a cyclic way is arguably the most natural strategy to obtain scalable first-order methods. However, despite their wide use in practice, cyclic schemes are far less understood from a theoretical perspective than their randomized counterparts. Motivated by a recent success in analyzing an extrapolated cyclic scheme for generalized variational inequalities, we propose an Accelerated Cyclic Coordinate Dual Averaging with Extrapolation (A-CODER) method for composite convex optimization, where the objective function can be expressed as the sum of a smooth convex function accessible via a gradient oracle and a convex, possibly nonsmooth, function accessible via a proximal oracle. We show that A-CODER attains the optimal convergence rate with improved dependence on the number of blocks compared to prior work. Furthermore, for the setting where the smooth component of the objective function is expressible in a finite sum form, we introduce a variance-reduced variant of A-CODER, VR-A-CODER, with state-of-the-art complexity guarantees. Finally, we demonstrate the effectiveness of our algorithms through numerical experiments.

The bandits with knapsack (BwK) framework models online decision-making problems in which an agent makes a sequence of decisions subject to resource consumption constraints. The traditional model assumes that each action consumes a non-negative amount of resources and the process ends when the initial budgets are fully depleted. We study a natural generalization of the BwK framework which allows non-monotonic resource utilization, i.e., resources can be replenished by a positive amount. We propose a best-of-both-worlds primal-dual template that can handle any online learning problem with replenishment for which a suitable primal regret minimizer exists. In particular, we provide the first positive results for the case of adversarial inputs by showing that our framework guarantees a constant competitive ratio alpha when B=Omega(T) or when the possible per-round replenishment is a positive constant. Moreover, under a stochastic input model, our algorithm yields an instance-independent O(T^{1/2}) regret bound which complements existing instance-dependent bounds for the same setting. Finally, we provide applications of our framework to some economic problems of practical relevance.

We introduce Feasible Learning (FL), a sample-centric learning paradigm where models are trained by solving a feasibility problem that bounds the loss for each training sample. In contrast to the ubiquitous Empirical Risk Minimization (ERM) framework, which optimizes for average performance, FL demands satisfactory performance on every individual data point. Since any model that meets the prescribed performance threshold is a valid FL solution, the choice of optimization algorithm and its dynamics play a crucial role in shaping the properties of the resulting solutions. In particular, we study a primal-dual approach which dynamically re-weights the importance of each sample during training. To address the challenge of setting a meaningful threshold in practice, we introduce a relaxation of FL that incorporates slack variables of minimal norm. Our empirical analysis, spanning image classification, age regression, and preference optimization in large language models, demonstrates that models trained via FL can learn from data while displaying improved tail behavior compared to ERM, with only a marginal impact on average performance.

Constrained Markov Decision Processes (CMDPs) are critical in many high-stakes applications, where decisions must optimize cumulative rewards while strictly adhering to complex nonlinear constraints. In domains such as power systems, finance, supply chains, and precision robotics, violating these constraints can result in significant financial or societal costs. Existing Reinforcement Learning (RL) methods often struggle with sample efficiency and effectiveness in finding feasible policies for highly and strictly constrained CMDPs, limiting their applicability in these environments. Stochastic dual dynamic programming is often used in practice on convex relaxations of the original problem, but they also encounter computational challenges and loss of optimality. This paper introduces a novel approach, Two-Stage Deep Decision Rules (TS-DDR), to efficiently train parametric actor policies using Lagrangian Duality. TS-DDR is a self-supervised learning algorithm that trains general decision rules (parametric policies) using stochastic gradient descent (SGD); its forward passes solve {\em deterministic} optimization problems to find feasible policies, and its backward passes leverage duality theory to train the parametric policy with closed-form gradients. TS-DDR inherits the flexibility and computational performance of deep learning methodologies to solve CMDP problems. Applied to the Long-Term Hydrothermal Dispatch (LTHD) problem using actual power system data from Bolivia, TS-DDR is shown to enhance solution quality and to reduce computation times by several orders of magnitude when compared to current state-of-the-art methods.

Score Distillation Sampling (SDS) leverages pretrained 2D diffusion models to advance text-to-3D generation but neglects multi-view correlations, being prone to geometric inconsistencies and multi-face artifacts in the generated 3D content. In this work, we propose Coupled Score Distillation (CSD), a framework that couples multi-view joint distribution priors to ensure geometrically consistent 3D generation while enabling the stable and direct optimization of 3D Gaussian Splatting. Specifically, by reformulating the optimization as a multi-view joint optimization problem, we derive an effective optimization rule that effectively couples multi-view priors to guide optimization across different viewpoints while preserving the diversity of generated 3D assets. Additionally, we propose a framework that directly optimizes 3D Gaussian Splatting (3D-GS) with random initialization to generate geometrically consistent 3D content. We further employ a deformable tetrahedral grid, initialized from 3D-GS and refined through CSD, to produce high-quality, refined meshes. Quantitative and qualitative experimental results demonstrate the efficiency and competitive quality of our approach.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

The primal dual hybrid gradient algorithm (PDHG), which is also known as the Arrow-Hurwicz method, is a fundamental algorithm for saddle point problems especially in imaging. It also inspires a great number of influential algorithms such as the stochastic PDHG and the Chambolle-Pock's primal dual algorithm. In the literature, convergence theory of the PDHG is established only when some more restrictive conditions are additionally assumed, and it is proved that the PDHG with any constant step sizes could diverge for generic setting of convex saddle point problems. The Chambolle-Pock's primal dual algorithm, as an influential variant of the PDHG, is thus widely used due to its provable convergence theory and competitive numerical performance. However, step sizes of the Chambolle-Pock's primal dual algorithm are inherently bounded by its associated matrix spectrum, and this restriction could limit its computational capacity structurally. To address these limitations both in theory and practice, we propose a class of adaptive primal dual hybrid gradient algorithms for generic convex saddle point problems in this paper. By exploiting the prediction-correction algorithmic framework, the global convergence theory of the proposed schemes can be determined only by the average spectrum of the underlying matrix, and it thus leads to a potential acceleration. The numerical experiment on the assignment problem illustrates the superior numerical performance of the proposed method.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalities while preserving SE(3)-equivariance. We introduce a novel backward correction strategy that optimizes within a sliding window of the past histories, allowing for a seamless trade-off between explore-and-exploit during optimization. MolJO achieves state-of-the-art performance on CrossDocked2020 benchmark (Success Rate 51.3%, Vina Dock -9.05 and SA 0.78), more than 4x improvement in Success Rate compared to the gradient-based counterpart, and 2x "Me-Better" Ratio as much as 3D baselines. Furthermore, we extend MolJO to a wide range of optimization settings, including multi-objective optimization and challenging tasks in drug design such as R-group optimization and scaffold hopping, further underscoring its versatility. Code is available at https://github.com/AlgoMole/MolCRAFT.

The entropic fictitious play (EFP) is a recently proposed algorithm that minimizes the sum of a convex functional and entropy in the space of measures -- such an objective naturally arises in the optimization of a two-layer neural network in the mean-field regime. In this work, we provide a concise primal-dual analysis of EFP in the setting where the learning problem exhibits a finite-sum structure. We establish quantitative global convergence guarantees for both the continuous-time and discrete-time dynamics based on properties of a proximal Gibbs measure introduced in Nitanda et al. (2022). Furthermore, our primal-dual framework entails a memory-efficient particle-based implementation of the EFP update, and also suggests a connection to gradient boosting methods. We illustrate the efficiency of our novel implementation in experiments including neural network optimization and image synthesis.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

In this paper, we propose an algorithm that allows joint refinement of camera pose and scene geometry represented by decomposed low-rank tensor, using only 2D images as supervision. First, we conduct a pilot study based on a 1D signal and relate our findings to 3D scenarios, where the naive joint pose optimization on voxel-based NeRFs can easily lead to sub-optimal solutions. Moreover, based on the analysis of the frequency spectrum, we propose to apply convolutional Gaussian filters on 2D and 3D radiance fields for a coarse-to-fine training schedule that enables joint camera pose optimization. Leveraging the decomposition property in decomposed low-rank tensor, our method achieves an equivalent effect to brute-force 3D convolution with only incurring little computational overhead. To further improve the robustness and stability of joint optimization, we also propose techniques of smoothed 2D supervision, randomly scaled kernel parameters, and edge-guided loss mask. Extensive quantitative and qualitative evaluations demonstrate that our proposed framework achieves superior performance in novel view synthesis as well as rapid convergence for optimization.

The phenomenon of model-wise double descent, where the test error peaks and then reduces as the model size increases, is an interesting topic that has attracted the attention of researchers due to the striking observed gap between theory and practice Belkin2018ReconcilingMM. Additionally, while double descent has been observed in various tasks and architectures, the peak of double descent can sometimes be noticeably absent or diminished, even without explicit regularization, such as weight decay and early stopping. In this paper, we investigate this intriguing phenomenon from the optimization perspective and propose a simple optimization-based explanation for why double descent sometimes occurs weakly or not at all. To the best of our knowledge, we are the first to demonstrate that many disparate factors contributing to model-wise double descent (initialization, normalization, batch size, learning rate, optimization algorithm) are unified from the viewpoint of optimization: model-wise double descent is observed if and only if the optimizer can find a sufficiently low-loss minimum. These factors directly affect the condition number of the optimization problem or the optimizer and thus affect the final minimum found by the optimizer, reducing or increasing the height of the double descent peak. We conduct a series of controlled experiments on random feature models and two-layer neural networks under various optimization settings, demonstrating this optimization-based unified view. Our results suggest the following implication: Double descent is unlikely to be a problem for real-world machine learning setups. Additionally, our results help explain the gap between weak double descent peaks in practice and strong peaks observable in carefully designed setups.

Training deep neural networks is a challenging non-convex optimization problem. Recent work has proven that the strong duality holds (which means zero duality gap) for regularized finite-width two-layer ReLU networks and consequently provided an equivalent convex training problem. However, extending this result to deeper networks remains to be an open problem. In this paper, we prove that the duality gap for deeper linear networks with vector outputs is non-zero. In contrast, we show that the zero duality gap can be obtained by stacking standard deep networks in parallel, which we call a parallel architecture, and modifying the regularization. Therefore, we prove the strong duality and existence of equivalent convex problems that enable globally optimal training of deep networks. As a by-product of our analysis, we demonstrate that the weight decay regularization on the network parameters explicitly encourages low-rank solutions via closed-form expressions. In addition, we show that strong duality holds for three-layer standard ReLU networks given rank-1 data matrices.

De novo drug design requires simultaneously generating novel molecules outside of training data and predicting their target properties, making it a hard task for generative models. To address this, we propose Joint Transformer that combines a Transformer decoder, Transformer encoder, and a predictor in a joint generative model with shared weights. We formulate a probabilistic black-box optimization algorithm that employs Joint Transformer to generate novel molecules with improved target properties and outperforms other SMILES-based optimization methods in de novo drug design.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

Although data-driven methods have achieved success in 3D human pose estimation, they often suffer from domain gaps and exhibit limited generalization. In contrast, optimization-based methods excel in fine-tuning for specific cases but are generally inferior to data-driven methods in overall performance. We observe that previous optimization-based methods commonly rely on a projection constraint, which only ensures alignment in 2D space, potentially leading to the overfitting problem. To address this, we propose an Uncertainty-Aware testing-time Optimization (UAO) framework, which keeps the prior information of the pre-trained model and alleviates the overfitting problem using the uncertainty of joints. Specifically, during the training phase, we design an effective 2D-to-3D network for estimating the corresponding 3D pose while quantifying the uncertainty of each 3D joint. For optimization during testing, the proposed optimization framework freezes the pre-trained model and optimizes only a latent state. Projection loss is then employed to ensure the generated poses are well aligned in 2D space for high-quality optimization. Furthermore, we utilize the uncertainty of each joint to determine how much each joint is allowed for optimization. The effectiveness and superiority of the proposed framework are validated through extensive experiments on challenging datasets: Human3.6M, MPI-INF-3DHP, and 3DPW. Notably, our approach outperforms the previous best result by a large margin of 5.5\% on Human3.6M. Code is available at https://github.com/xiu-cs/UAO-Pose3D{https://github.com/xiu-cs/UAO-Pose3D}.

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most k tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case k=1) and quadratically-regularized OT (recovered when k is large enough). The smoothness of the objectives increases as k increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.

We present Dojo, a differentiable physics engine for robotics that prioritizes stable simulation, accurate contact physics, and differentiability with respect to states, actions, and system parameters. Dojo models hard contact and friction with a nonlinear complementarity problem with second-order cone constraints. We introduce a custom primal-dual interior-point method to solve the second order cone program for stable forward simulation over a broad range of sample rates. We obtain smooth gradient approximations with this solver through the implicit function theorem, giving gradients that are useful for downstream trajectory optimization, policy optimization, and system identification applications. Specifically, we propose to use the central path parameter threshold in the interior point solver as a user-tunable design parameter. A high value gives a smooth approximation to contact dynamics with smooth gradients for optimization and learning, while a low value gives precise simulation rollouts with hard contact. We demonstrate Dojo's differentiability in trajectory optimization, policy learning, and system identification examples. We also benchmark Dojo against MuJoCo, PyBullet, Drake, and Brax on a variety of robot models, and study the stability and simulation quality over a range of sample frequencies and accuracy tolerances. Finally, we evaluate the sim-to-real gap in hardware experiments with a Ufactory xArm 6 robot. Dojo is an open source project implemented in Julia with Python bindings, with code available at https://github.com/dojo-sim/Dojo.jl.

This paper presents Post-Decision Proximal Policy Optimization (PDPPO), a novel variation of the leading deep reinforcement learning method, Proximal Policy Optimization (PPO). The PDPPO state transition process is divided into two steps: a deterministic step resulting in the post-decision state and a stochastic step leading to the next state. Our approach incorporates post-decision states and dual critics to reduce the problem's dimensionality and enhance the accuracy of value function estimation. Lot-sizing is a mixed integer programming problem for which we exemplify such dynamics. The objective of lot-sizing is to optimize production, delivery fulfillment, and inventory levels in uncertain demand and cost parameters. This paper evaluates the performance of PDPPO across various environments and configurations. Notably, PDPPO with a dual critic architecture achieves nearly double the maximum reward of vanilla PPO in specific scenarios, requiring fewer episode iterations and demonstrating faster and more consistent learning across different initializations. On average, PDPPO outperforms PPO in environments with a stochastic component in the state transition. These results support the benefits of using a post-decision state. Integrating this post-decision state in the value function approximation leads to more informed and efficient learning in high-dimensional and stochastic environments.

Direct Preference Optimization (DPO) has become a cornerstone of reinforcement learning from human feedback (RLHF) due to its simplicity and efficiency. However, existing DPO-based approaches typically treat all preference pairs uniformly, ignoring critical variations in their inherent quality and learning utility, leading to suboptimal data utilization and performance. To address this challenge, we propose Omni-DPO, a dual-perspective optimization framework that jointly accounts for (1) the inherent quality of each preference pair and (2) the model's evolving performance on those pairs. By adaptively weighting samples according to both data quality and the model's learning dynamics during training, Omni-DPO enables more effective training data utilization and achieves better performance. Experimental results on various models and benchmarks demonstrate the superiority and generalization capabilities of Omni-DPO. On textual understanding tasks, Gemma-2-9b-it finetuned with Omni-DPO beats the leading LLM, Claude 3 Opus, by a significant margin of 6.7 points on the Arena-Hard benchmark. On mathematical reasoning tasks, Omni-DPO consistently outperforms the baseline methods across all benchmarks, providing strong empirical evidence for the effectiveness and robustness of our approach. Code and models will be available at https://github.com/pspdada/Omni-DPO.

Activity difference based learning algorithms-such as contrastive Hebbian learning and equilibrium propagation-have been proposed as biologically plausible alternatives to error back-propagation. However, on traditional digital chips these algorithms suffer from having to solve a costly inference problem twice, making these approaches more than two orders of magnitude slower than back-propagation. In the analog realm equilibrium propagation may be promising for fast and energy efficient learning, but states still need to be inferred and stored twice. Inspired by lifted neural networks and compartmental neuron models we propose a simple energy based compartmental neuron model, termed dual propagation, in which each neuron is a dyad with two intrinsic states. At inference time these intrinsic states encode the error/activity duality through their difference and their mean respectively. The advantage of this method is that only a single inference phase is needed and that inference can be solved in layerwise closed-form. Experimentally we show on common computer vision datasets, including Imagenet32x32, that dual propagation performs equivalently to back-propagation both in terms of accuracy and runtime.

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

Bayesian Optimization (BO) is typically used to optimize an unknown function f that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for f. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of f without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of f comprises high-dimensional factors.

Large Language Models (LLMs) exhibit strong general language capabilities. However, fine-tuning these models on domain-specific tasks often leads to catastrophic forgetting, where the model overwrites or loses essential knowledge acquired during pretraining. This phenomenon significantly limits the broader applicability of LLMs. To address this challenge, we propose a novel approach to compute the element-wise importance of model parameters crucial for preserving general knowledge during fine-tuning. Our method utilizes a dual-objective optimization strategy: (1) regularization loss based on element-wise parameter importance, which constrains the updates to parameters crucial for general knowledge; (2) cross-entropy loss to adapt to domain-specific tasks. Additionally, we introduce layer-wise coefficients to account for the varying contributions of different layers, dynamically balancing the dual-objective optimization. Extensive experiments on scientific, medical, and physical tasks using GPT-J and LLaMA-3 demonstrate that our approach mitigates catastrophic forgetting while enhancing model adaptability. Compared to previous methods, our solution is approximately 20 times faster and requires only 10-15% of the storage, highlighting the practical efficiency. The code will be released.

Vision-language models (VLMs) have achieved remarkable success across diverse tasks by leveraging rich textual information with minimal labeled data. However, deploying such large models remains challenging, particularly in resource-constrained environments. Knowledge distillation (KD) offers a well-established solution to this problem; however, recent KD approaches from VLMs often involve multi-stage training or additional tuning, increasing computational overhead and optimization complexity. In this paper, we propose texttt{D}ual-texttt{H}ead texttt{O}ptimization (texttt{DHO}) -- a simple yet effective KD framework that transfers knowledge from VLMs to compact, task-specific models in semi-supervised settings. Specifically, we introduce dual prediction heads that independently learn from labeled data and teacher predictions, and propose to linearly combine their outputs during inference. We observe that DHO mitigates gradient conflicts between supervised and distillation signals, enabling more effective feature learning than single-head KD baselines. As a result, extensive experiments show that DHO consistently outperforms baselines across multiple domains and fine-grained datasets. Notably, on ImageNet, it achieves state-of-the-art performance, improving accuracy by 3% and 0.1% with 1% and 10% labeled data, respectively, while using fewer parameters.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

We investigate safe multi-agent reinforcement learning, where agents seek to collectively maximize an aggregate sum of local objectives while satisfying their own safety constraints. The objective and constraints are described by {\it general utilities}, i.e., nonlinear functions of the long-term state-action occupancy measure, which encompass broader decision-making goals such as risk, exploration, or imitations. The exponential growth of the state-action space size with the number of agents presents challenges for global observability, further exacerbated by the global coupling arising from agents' safety constraints. To tackle this issue, we propose a primal-dual method utilizing shadow reward and κ-hop neighbor truncation under a form of correlation decay property, where κ is the communication radius. In the exact setting, our algorithm converges to a first-order stationary point (FOSP) at the rate of Oleft(T^{-2/3}right). In the sample-based setting, we demonstrate that, with high probability, our algorithm requires mathcal{O}left(ε^{-3.5}right) samples to achieve an ε-FOSP with an approximation error of O(φ_0^{2κ}), where φ_0in (0,1). Finally, we demonstrate the effectiveness of our model through extensive numerical experiments.

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for such problems often rely on surrogate models like Gaussian processes to approximate the objective functions. These surrogate models can become fragmented, resulting in numerous small uncertain regions between explored solutions. When using acquisition functions such as the Lower Confidence Bound (LCB), these uncertain regions can turn into pseudo-local optima, complicating the search for globally optimal solutions. To address these challenges, we propose a novel approach called SVH-PSL, which integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks for efficient Pareto set learning. Our method addresses the issues of fragmented surrogate models and pseudo-local optima by collectively moving particles in a manner that smooths out the solution space. The particles interact with each other through a kernel function, which helps maintain diversity and encourages the exploration of underexplored regions. This kernel-based interaction prevents particles from clustering around pseudo-local optima and promotes convergence towards globally optimal solutions. Our approach aims to establish robust relationships between trade-off reference vectors and their corresponding true Pareto solutions, overcoming the limitations of existing methods. Through extensive experiments across both synthetic and real-world MOO benchmarks, we demonstrate that SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive multi-objective optimization problems.

The Machine Learning for Combinatorial Optimization (ML4CO) NeurIPS 2021 competition aims to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. On the dual task, we design models to make branching decisions to promote the dual bound increase faster. We propose a knowledge inheritance method to generalize knowledge of different models from the dataset aggregation process, named KIDA. Our improvement overcomes some defects of the baseline graph-neural-networks-based methods. Further, we won the 1st Place on the dual task. We hope this report can provide useful experience for developers and researchers. The code is available at https://github.com/megvii-research/NeurIPS2021-ML4CO-KIDA.

This paper focuses on the problem of constrained stochastic optimization. A zeroth order Frank-Wolfe algorithm is proposed, which in addition to the projection-free nature of the vanilla Frank-Wolfe algorithm makes it gradient free. Under convexity and smoothness assumption, we show that the proposed algorithm converges to the optimal objective function at a rate Oleft(1/T^{1/3}right), where T denotes the iteration count. In particular, the primal sub-optimality gap is shown to have a dimension dependence of Oleft(d^{1/3}right), which is the best known dimension dependence among all zeroth order optimization algorithms with one directional derivative per iteration. For non-convex functions, we obtain the Frank-Wolfe gap to be Oleft(d^{1/3}T^{-1/4}right). Experiments on black-box optimization setups demonstrate the efficacy of the proposed algorithm.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

Sequential decision-making problems with multiple objectives arise naturally in practice and pose unique challenges for research in decision-theoretic planning and learning, which has largely focused on single-objective settings. This article surveys algorithms designed for sequential decision-making problems with multiple objectives. Though there is a growing body of literature on this subject, little of it makes explicit under what circumstances special methods are needed to solve multi-objective problems. Therefore, we identify three distinct scenarios in which converting such a problem to a single-objective one is impossible, infeasible, or undesirable. Furthermore, we propose a taxonomy that classifies multi-objective methods according to the applicable scenario, the nature of the scalarization function (which projects multi-objective values to scalar ones), and the type of policies considered. We show how these factors determine the nature of an optimal solution, which can be a single policy, a convex hull, or a Pareto front. Using this taxonomy, we survey the literature on multi-objective methods for planning and learning. Finally, we discuss key applications of such methods and outline opportunities for future work.

Mehta and Panigrahi (2012) proposed Online Matching with Stochastic Rewards, which generalizes the Online Bipartite Matching problem of Karp, Vazirani, and Vazirani (1990) by associating the edges with success probabilities. This new feature captures the pay-per-click model in online advertising. Recently, Huang and Zhang (2020) studied this problem under the online primal dual framework using the Configuration Linear Program (LP), and got the best known competitive ratios of the Stochastic Balance algorithm. Their work suggests that the more expressive Configuration LP is more suitable for this problem than the Matching LP. This paper advances the theory of Configuration LP in two directions. Our technical contribution includes a characterization of the joint matching outcome of an offline vertex and all its neighbors. This characterization may be of independent interest, and is aligned with the spirit of Configuration LP. By contrast, previous analyses of Ranking generally focus on only one neighbor. Second, we designed a Stochastic Configuration LP that captures a stochastic benchmark proposed by Goyal and Udwani (2020), who used a Path-based LP. The Stochastic Configuration LP is smaller and simpler than the Path-based LP. Moreover, using the new LP we improved the competitive ratio of Stochastic Balance from 0.596 to 0.611 when the success probabilities are infinitesimal, and to 0.613 when the success probabilities are further equal.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Vision transformers (ViTs) have gained popularity recently. Even without customized image operators such as convolutions, ViTs can yield competitive performance when properly trained on massive data. However, the computational overhead of ViTs remains prohibitive, due to stacking multi-head self-attention modules and else. Compared to the vast literature and prevailing success in compressing convolutional neural networks, the study of Vision Transformer compression has also just emerged, and existing works focused on one or two aspects of compression. This paper proposes a unified ViT compression framework that seamlessly assembles three effective techniques: pruning, layer skipping, and knowledge distillation. We formulate a budget-constrained, end-to-end optimization framework, targeting jointly learning model weights, layer-wise pruning ratios/masks, and skip configurations, under a distillation loss. The optimization problem is then solved using the primal-dual algorithm. Experiments are conducted with several ViT variants, e.g. DeiT and T2T-ViT backbones on the ImageNet dataset, and our approach consistently outperforms recent competitors. For example, DeiT-Tiny can be trimmed down to 50\% of the original FLOPs almost without losing accuracy. Codes are available online:~https://github.com/VITA-Group/UVC.

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

Dual-Encoders is a promising mechanism for answer retrieval in question answering (QA) systems. Currently most conventional Dual-Encoders learn the semantic representations of questions and answers merely through matching score. Researchers proposed to introduce the QA interaction features in scoring function but at the cost of low efficiency in inference stage. To keep independent encoding of questions and answers during inference stage, variational auto-encoder is further introduced to reconstruct answers (questions) from question (answer) embeddings as an auxiliary task to enhance QA interaction in representation learning in training stage. However, the needs of text generation and answer retrieval are different, which leads to hardness in training. In this work, we propose a framework to enhance the Dual-Encoders model with question answer cross-embeddings and a novel Geometry Alignment Mechanism (GAM) to align the geometry of embeddings from Dual-Encoders with that from Cross-Encoders. Extensive experimental results show that our framework significantly improves Dual-Encoders model and outperforms the state-of-the-art method on multiple answer retrieval datasets.

We study the optimisation problem associated with Gaussian process regression using squared loss. The most common approach to this problem is to apply an exact solver, such as conjugate gradient descent, either directly, or to a reduced-order version of the problem. Recently, driven by successes in deep learning, stochastic gradient descent has gained traction as an alternative. In this paper, we show that when done rightx2014by which we mean using specific insights from the optimisation and kernel communitiesx2014this approach is highly effective. We thus introduce a particular stochastic dual gradient descent algorithm, that may be implemented with a few lines of code using any deep learning framework. We explain our design decisions by illustrating their advantage against alternatives with ablation studies and show that the new method is highly competitive. Our evaluations on standard regression benchmarks and a Bayesian optimisation task set our approach apart from preconditioned conjugate gradients, variational Gaussian process approximations, and a previous version of stochastic gradient descent for Gaussian processes. On a molecular binding affinity prediction task, our method places Gaussian process regression on par in terms of performance with state-of-the-art graph neural networks.

Recent advances in large language models (LLMs) have greatly improved their reasoning and decision-making abilities when deployed as agents. Richer reasoning, however, often comes at the cost of longer chain of thought (CoT), hampering interaction efficiency in real-world scenarios. Nevertheless, there still lacks systematic definition of LLM agent efficiency, hindering targeted improvements. To this end, we introduce dual-efficiency, comprising (i) step-level efficiency, which minimizes tokens per step, and (ii) trajectory-level efficiency, which minimizes the number of steps to complete a task. Building on this definition, we propose DEPO, a dual-efficiency preference optimization method that jointly rewards succinct responses and fewer action steps. Experiments on WebShop and BabyAI show that DEPO cuts token usage by up to 60.9% and steps by up to 26.9%, while achieving up to a 29.3% improvement in performance. DEPO also generalizes to three out-of-domain math benchmarks and retains its efficiency gains when trained on only 25% of the data. Our project page is at https://opencausalab.github.io/DEPO.

Matrix-based optimizers have attracted growing interest for improving LLM training efficiency, with significant progress centered on orthogonalization/whitening based methods. While yielding substantial performance gains, a fundamental question arises: can we develop new paradigms beyond orthogonalization, pushing the efficiency frontier further? We present Adaptively Rotated Optimization (ARO, a new matrix optimization framework that treats gradient rotation as a first class design principle. ARO accelerates LLM training by performing normed steepest descent in a rotated coordinate system, where the rotation is determined by a novel norm-informed policy. This perspective yields update rules that go beyond existing orthogonalization and whitening optimizers, improving sample efficiency in practice. To make comparisons reliable, we propose a rigorously controlled benchmarking protocol that reduces confounding and bias. Under this protocol, ARO consistently outperforms AdamW (by 1.3 sim1.35times) and orthogonalization methods (by 1.1sim1.15times) in LLM pretraining at up to 8B activated parameters, and up to 8times overtrain budget, without evidence of diminishing returns. Finally, we discuss how ARO can be reformulated as a symmetry-aware optimizer grounded in rotational symmetries of residual streams, motivating advanced designs that enable computationally efficient exploitation of cross-layer/cross module couplings.

We consider the block coordinate descent methods of Gauss-Seidel type with proximal regularization (BCD-PR), which is a classical method of minimizing general nonconvex objectives under constraints that has a wide range of practical applications. We theoretically establish the worst-case complexity bound for this algorithm. Namely, we show that for general nonconvex smooth objectives with block-wise constraints, the classical BCD-PR algorithm converges to an epsilon-stationary point within O(1/epsilon) iterations. Under a mild condition, this result still holds even if the algorithm is executed inexactly in each step. As an application, we propose a provable and efficient algorithm for `Wasserstein CP-dictionary learning', which seeks a set of elementary probability distributions that can well-approximate a given set of d-dimensional joint probability distributions. Our algorithm is a version of BCD-PR that operates in the dual space, where the primal problem is regularized both entropically and proximally.

We present a generalization of the proximal operator defined through a convex combination of convex objectives, where the coefficients are updated in a minimax fashion. We prove that this new operator is Bregman firmly nonexpansive with respect to a Bregman divergence that combines Euclidean and information geometries.

We study preferential Bayesian optimization (BO) where reliable feedback is limited to pairwise comparison called duels. An important challenge in preferential BO, which uses the preferential Gaussian process (GP) model to represent flexible preference structure, is that the posterior distribution is a computationally intractable skew GP. The most widely used approach for preferential BO is Gaussian approximation, which ignores the skewness of the true posterior. Alternatively, Markov chain Monte Carlo (MCMC) based preferential BO is also proposed. In this work, we first verify the accuracy of Gaussian approximation, from which we reveal the critical problem that the predictive probability of duels can be inaccurate. This observation motivates us to improve the MCMC-based estimation for skew GP, for which we show the practical efficiency of Gibbs sampling and derive the low variance MC estimator. However, the computational time of MCMC can still be a bottleneck in practice. Towards building a more practical preferential BO, we develop a new method that achieves both high computational efficiency and low sample complexity, and then demonstrate its effectiveness through extensive numerical experiments.

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum solvers. In this work, we investigate a suite of Lagrangian-based optimization techniques including dual ascent, bundle methods, cutting plane approaches, and augmented Lagrangian formulations for solving constrained combinatorial problems on quantum simulators and hardware. Our framework is applied to three representative NP-hard problems: the Travelling Salesman Problem (TSP), the Multi-Dimensional Knapsack Problem (MDKP), and the Maximum Independent Set (MIS). We demonstrate that MDKP and TSP, with their inequality-based or degree-constrained structures, allow for slack-free reformulations, leading to significant qubit savings without compromising performance. In contrast, MIS does not inherently benefit from slack elimination but still gains in feasibility and objective quality from principled Lagrangian updates. We benchmark these methods across classically hard instances, analyzing trade-offs in qubit usage, feasibility, and optimality gaps. Our results highlight the flexibility of Lagrangian formulations as a scalable alternative to naive QUBO penalization, even when qubit savings are not always achievable. This work provides practical insights for deploying constraint-aware quantum optimization pipelines, with applications in logistics, network design, and resource allocation.

Geometry-aware optimization algorithms, such as Muon, have achieved remarkable success in training deep neural networks (DNNs). These methods leverage the underlying geometry of DNNs by selecting appropriate norms for different layers and updating parameters via norm-constrained linear minimization oracles (LMOs). However, even within a group of layers associated with the same norm, the local curvature can be heterogeneous across layers and vary dynamically over the course of training. For example, recent work shows that sharpness varies substantially across transformer layers and throughout training, yet standard geometry-aware optimizers impose fixed learning rates to layers within the same group, which may be inefficient for DNN training. In this paper, we introduce a noise-adaptive layerwise learning rate scheme on top of geometry-aware optimization algorithms and substantially accelerate DNN training compared to methods that use fixed learning rates within each group. Our method estimates gradient variance in the dual norm induced by the chosen LMO on the fly, and uses it to assign time-varying noise-adaptive layerwise learning rates within each group. We provide a theoretical analysis showing that our algorithm achieves a sharp convergence rate. Empirical results on transformer architectures such as LLaMA and GPT demonstrate that our approach achieves faster convergence than state-of-the-art optimizers.

Algorithms for online learning typically require one or more boundedness assumptions: that the domain is bounded, that the losses are Lipschitz, or both. In this paper, we develop a new setting for online learning with unbounded domains and non-Lipschitz losses. For this setting we provide an algorithm which guarantees R_{T}(u)le tilde O(G|u|T+L|u|^{2}T) regret on any problem where the subgradients satisfy |g_{t}|le G+L|w_{t}|, and show that this bound is unimprovable without further assumptions. We leverage this algorithm to develop new saddle-point optimization algorithms that converge in duality gap in unbounded domains, even in the absence of meaningful curvature. Finally, we provide the first algorithm achieving non-trivial dynamic regret in an unbounded domain for non-Lipschitz losses, as well as a matching lower bound. The regret of our dynamic regret algorithm automatically improves to a novel L^{*} bound when the losses are smooth.

Learned optimizers have been an active research topic over the past decade, with increasing progress toward practical, general-purpose optimizers that can serve as drop-in replacements for widely used methods like Adam. However, recent advances -- such as VeLO, which was meta-trained for 4000 TPU-months -- remain largely inaccessible to the broader community, in part due to their reliance on JAX and the absence of user-friendly packages for applying the optimizers after meta-training. To address this gap, we introduce PyLO, a PyTorch-based library that brings learned optimizers to the broader machine learning community through familiar, widely adopted workflows. Unlike prior work focused on synthetic or convex tasks, our emphasis is on applying learned optimization to real-world large-scale pre-training tasks. Our release includes a CUDA-accelerated version of the small_fc_lopt learned optimizer architecture from (Metz et al., 2022a), delivering substantial speedups -- from 39.36 to 205.59 samples/sec throughput for training ViT B/16 with batch size 32. PyLO also allows us to easily combine learned optimizers with existing optimization tools such as learning rate schedules and weight decay. When doing so, we find that learned optimizers can substantially benefit. Our code is available at https://github.com/Belilovsky-Lab/pylo

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

Provably efficient Model-Based Reinforcement Learning (MBRL) based on optimism or posterior sampling (PSRL) is ensured to attain the global optimality asymptotically by introducing the complexity measure of the model. However, the complexity might grow exponentially for the simplest nonlinear models, where global convergence is impossible within finite iterations. When the model suffers a large generalization error, which is quantitatively measured by the model complexity, the uncertainty can be large. The sampled model that current policy is greedily optimized upon will thus be unsettled, resulting in aggressive policy updates and over-exploration. In this work, we propose Conservative Dual Policy Optimization (CDPO) that involves a Referential Update and a Conservative Update. The policy is first optimized under a reference model, which imitates the mechanism of PSRL while offering more stability. A conservative range of randomness is guaranteed by maximizing the expectation of model value. Without harmful sampling procedures, CDPO can still achieve the same regret as PSRL. More importantly, CDPO enjoys monotonic policy improvement and global optimality simultaneously. Empirical results also validate the exploration efficiency of CDPO.

In large-scale AI training, Sparse Mixture-of-Experts (s-MoE) layers enable scaling by activating only a small subset of experts per token. An operational challenge in this design is load balancing: routing tokens to minimize the number of idle experts, which is important for the efficient utilization of (costly) GPUs. We provide a theoretical framework for analyzing the Auxiliary-Loss-Free Load Balancing (ALF-LB) procedure -- proposed by DeepSeek's Wang et al. (2024) -- by casting it as a one-step-per-iteration primal-dual method for an assignment problem. First, in a stylized deterministic setting, our framework yields several insightful structural properties: (i) a monotonic improvement of a Lagrangian objective, (ii) a preference rule that moves tokens from overloaded to underloaded experts, and (iii) an approximate-balancing guarantee. Then, we incorporate the stochastic and dynamic nature of AI training using a generalized online optimization formulation. In the online setting, we derive a strong convexity property of the objective that leads to a logarithmic expected regret bound under certain step-size choices. Additionally, we present real experiments on 1B-parameter DeepSeekMoE models to complement our theoretical findings. Together, these results build a principled framework for analyzing the Auxiliary-Loss-Free Load Balancing of s-MoE in AI models.

While diffusion distillation has enabled one-step generation through methods like Variational Score Distillation, adapting distilled models to emerging new controls -- such as novel structural constraints or latest user preferences -- remains challenging. Conventional approaches typically requires modifying the base diffusion model and redistilling it -- a process that is both computationally intensive and time-consuming. To address these challenges, we introduce Joint Distribution Matching (JDM), a novel approach that minimizes the reverse KL divergence between image-condition joint distributions. By deriving a tractable upper bound, JDM decouples fidelity learning from condition learning. This asymmetric distillation scheme enables our one-step student to handle controls unknown to the teacher model and facilitates improved classifier-free guidance (CFG) usage and seamless integration of human feedback learning (HFL). Experimental results demonstrate that JDM surpasses baseline methods such as multi-step ControlNet by mere one-step in most cases, while achieving state-of-the-art performance in one-step text-to-image synthesis through improved usage of CFG or HFL integration.

Topology optimization by optimally distributing materials in a given domain requires non-gradient optimizers to solve highly complicated problems. However, with hundreds of design variables or more involved, solving such problems would require millions of Finite Element Method (FEM) calculations whose computational cost is huge and impractical. Here we report Self-directed Online Learning Optimization (SOLO) which integrates Deep Neural Network (DNN) with FEM calculations. A DNN learns and substitutes the objective as a function of design variables. A small number of training data is generated dynamically based on the DNN's prediction of the optimum. The DNN adapts to the new training data and gives better prediction in the region of interest until convergence. The optimum predicted by the DNN is proved to converge to the true global optimum through iterations. Our algorithm was tested by four types of problems including compliance minimization, fluid-structure optimization, heat transfer enhancement and truss optimization. It reduced the computational time by 2 ~ 5 orders of magnitude compared with directly using heuristic methods, and outperformed all state-of-the-art algorithms tested in our experiments. This approach enables solving large multi-dimensional optimization problems.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

Focal cortical dysplasia (FCD) lesions in epilepsy FLAIR MRI are subtle and scarce, making joint image--mask generative modeling prone to instability and memorization. We propose SLIM-Diff, a compact joint diffusion model whose main contributions are (i) a single shared-bottleneck U-Net that enforces tight coupling between anatomy and lesion geometry from a 2-channel image+mask representation, and (ii) loss-geometry tuning via a tunable L_p objective. As an internal baseline, we include the canonical DDPM-style objective (ε-prediction with L_2 loss) and isolate the effect of prediction parameterization and L_p geometry under a matched setup. Experiments show that x_0-prediction is consistently the strongest choice for joint synthesis, and that fractional sub-quadratic penalties (L_{1.5}) improve image fidelity while L_2 better preserves lesion mask morphology. Our code and model weights are available in https://github.com/MarioPasc/slim-diff

Conditional image generation enhances text-to-image synthesis with structural, spatial, or stylistic priors, but current methods face challenges in handling conflicts between sources. These include 1) input-level conflicts, where the conditioning image contradicts the text prompt, and 2) model-bias conflicts, where generative biases disrupt alignment even when conditions match the text. Addressing these conflicts requires nuanced solutions, which standard supervised fine-tuning struggles to provide. Preference-based optimization techniques like Direct Preference Optimization (DPO) show promise but are limited by gradient entanglement between text and condition signals and lack disentangled training data for multi-constraint tasks. To overcome this, we propose a bidirectionally decoupled DPO framework (BideDPO). Our method creates two disentangled preference pairs-one for the condition and one for the text-to reduce gradient entanglement. The influence of pairs is managed using an Adaptive Loss Balancing strategy for balanced optimization. We introduce an automated data pipeline to sample model outputs and generate conflict-aware data. This process is embedded in an iterative optimization strategy that refines both the model and the data. We construct a DualAlign benchmark to evaluate conflict resolution between text and condition. Experiments show BideDPO significantly improves text success rates (e.g., +35%) and condition adherence. We also validate our approach using the COCO dataset. Project Pages: https://limuloo.github.io/BideDPO/.

Reinforcement learning from human feedback (RLHF) has demonstrated remarkable effectiveness in aligning large language models (LLMs) with human preferences. Many existing alignment approaches rely on the Bradley-Terry (BT) model assumption, which assumes the existence of a ground-truth reward for each prompt-response pair. However, this assumption can be overly restrictive when modeling complex human preferences. In this paper, we drop the BT model assumption and study LLM alignment under general preferences, formulated as a two-player game. Drawing on theoretical insights from learning in games, we integrate optimistic online mirror descent into our alignment framework to approximate the Nash policy. Theoretically, we demonstrate that our approach achieves an O(T^{-1}) bound on the duality gap, improving upon the previous O(T^{-1/2}) result. More importantly, we implement our method and show through experiments that it outperforms state-of-the-art RLHF algorithms across multiple representative benchmarks.

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

Minimax problems are notoriously challenging to optimize. However, we demonstrate that the two-timescale extragradient can be a viable solution. By utilizing dynamical systems theory, we show that it converges to points that satisfy the second-order necessary condition of local minimax points, under a mild condition. This work surpasses all previous results as we eliminate a crucial assumption that the Hessian, with respect to the maximization variable, is nondegenerate.

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.

Traditional approaches to portfolio optimization, often rooted in Modern Portfolio Theory and solved via quadratic programming or evolutionary algorithms, struggle with scalability or flexibility, especially in scenarios involving complex constraints, large datasets and/or multiple conflicting objectives. To address these challenges, we introduce a benchmark framework for multi-objective portfolio optimization (MPO) using gradient descent with automatic differentiation. Our method supports any optimization objective, such as minimizing risk measures (e.g., CVaR) or maximizing Sharpe ratio, along with realistic constraints, such as tracking error limits, UCITS regulations, or asset group restrictions. We have evaluated our framework across six experimental scenarios, from single-objective setups to complex multi-objective cases, and have compared its performance against standard solvers like CVXPY and SKFOLIO. Our results show that our method achieves competitive performance while offering enhanced flexibility for modeling multiple objectives and constraints. We aim to provide a practical and extensible tool for researchers and practitioners exploring advanced portfolio optimization problems in real-world conditions.

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD). However, applying SVD-based procedures individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple two-step procedure to approximate SVD-based gradient projections into lower-dimensional spaces. First, we construct a complete orthogonal basis using predefined orthogonal matrices of the Discrete Cosine Transform (DCT). Second, we adaptively select basis columns based on their alignment with the gradient of each layer. Each projection matrix in our method is obtained via a single matrix multiplication followed by a lightweight sorting step to identify the most relevant basis vectors. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. During training, we store only the indices of the selected columns, avoiding the need to store full projection matrices for each layer. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, matching the performance of costly SVD-based methods while achieving faster runtime and reduced memory usage.

Modifications to test-time sampling have emerged as an important extension to diffusion algorithms, with the goal of biasing the generative process to achieve a given objective without having to retrain the entire diffusion model. However, generating jointly correlated samples from multiple pre-trained diffusion models while simultaneously enforcing task-specific constraints without costly retraining has remained challenging. To this end, we propose Projected Coupled Diffusion (PCD), a novel test-time framework for constrained joint generation. PCD introduces a coupled guidance term into the generative dynamics to encourage coordination between diffusion models and incorporates a projection step at each diffusion step to enforce hard constraints. Empirically, we demonstrate the effectiveness of PCD in application scenarios of image-pair generation, object manipulation, and multi-robot motion planning. Our results show improved coupling effects and guaranteed constraint satisfaction without incurring excessive computational costs.

Direct Preference Optimization (DPO) is an effective technique that leverages pairwise preference data (usually one chosen and rejected response pair per user prompt) to align LLMs to human preferences. In practice, multiple responses can exist for a given prompt with varying quality relative to each other. With availability of such quality ratings for multiple responses, we propose utilizing these responses to create multiple preference pairs for a given prompt. Our work focuses on systematically using the constructed multiple preference pair in DPO training via curriculum learning methodology. In particular, we order these multiple pairs of preference data from easy to hard (emulating curriculum training) according to various criteria. We show detailed comparisons of our proposed approach to the standard single-pair DPO setting. Our method, which we call Curry-DPO consistently shows increased performance gains on MTbench, Vicuna, WizardLM, and the UltraFeedback test set, highlighting its effectiveness. More specifically, Curry-DPO achieves a score of 7.43 on MT-bench with Zephy-7B model outperforming majority of existing LLMs with similar parameter size. Curry-DPO also achieves the highest adjusted win rates on Vicuna, WizardLM, and UltraFeedback test datasets (90.7%, 87.1%, and 87.9% respectively) in our experiments, with notable gains of upto 7.5% when compared to standard DPO technique.

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning fields. The validity of existing works heavily rely on either a restrictive Lower- Level Strong Convexity (LLSC) condition or on solving a series of approximation subproblems with high accuracy or both. In this work, by averaging the upper and lower level objectives, we propose a single loop Bi-level Averaged Method of Multipliers (sl-BAMM) for BLO that is simple yet efficient for large-scale BLO and gets rid of the limited LLSC restriction. We further provide non-asymptotic convergence analysis of sl-BAMM towards KKT stationary points, and the comparative advantage of our analysis lies in the absence of strong gradient boundedness assumption, which is always required by others. Thus our theory safely captures a wider variety of applications in deep learning, especially where the upper-level objective is quadratic w.r.t. the lower-level variable. Experimental results demonstrate the superiority of our method.

Fine-tuning foundation models often compromises their robustness to distribution shifts. To remedy this, most robust fine-tuning methods aim to preserve the pre-trained features. However, not all pre-trained features are robust and those methods are largely indifferent to which ones to preserve. We propose dual risk minimization (DRM), which combines empirical risk minimization with worst-case risk minimization, to better preserve the core features of downstream tasks. In particular, we utilize core-feature descriptions generated by LLMs to induce core-based zero-shot predictions which then serve as proxies to estimate the worst-case risk. DRM balances two crucial aspects of model robustness: expected performance and worst-case performance, establishing a new state of the art on various real-world benchmarks. DRM significantly improves the out-of-distribution performance of CLIP ViT-L/14@336 on ImageNet (75.9 to 77.1), WILDS-iWildCam (47.1 to 51.8), and WILDS-FMoW (50.7 to 53.1); opening up new avenues for robust fine-tuning. Our code is available at https://github.com/vaynexie/DRM .

In this paper we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions, hence, on the one side, offering a novel explanation for the success of stochastic relaxations of gradient descent. On the other side, contrary to the conventional wisdom for which zero-order methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of such heuristics. This viewpoint furthermore complements previous insights into the working principles of CBO, which describe the dynamics in the mean-field limit through a nonlinear nonlocal partial differential equation that allows to alleviate complexities of the nonconvex function landscape. Our proofs leverage a completely nonsmooth analysis, which combines a novel quantitative version of the Laplace principle (log-sum-exp trick) and the minimizing movement scheme (proximal iteration). In doing so, we furnish useful and precise insights that explain how stochastic perturbations of gradient descent overcome energy barriers and reach deep levels of nonconvex functions. Instructive numerical illustrations support the provided theoretical insights.

Optimization (PPO) has been positioned by recent literature as the canonical method for the RL part of RLHF. PPO performs well empirically but has a heuristic motivation and handles the KL-divergence constraint used in LM-RLHF in an ad-hoc manner and suffers form reward oscillations, entropy collapse, value function drift, and sudden policy divergence that require frequent restarts and extensive hyperparameter tuning. In this paper, we develop a new pure on policy actor-critic RL method for the LM-RLHF setting. We present SAFE (Stable Alignment Finetuning with Entropy-aware control),a novel RLHF algorithm that combines a Double Soft-Min Critic for pessimistic value estimation with a new multi-layer stabilization framework combining entropy-gated KL regulation, and PID-controlled adaptive thresholds. Unlike standard PPO's symmetric KL penalties, SAFE distinguishes high-entropy exploration from low-entropy mode collapse and adjusts penalties dynamically based on reward velocity. Experiments on a 3B parameter model show SAFE achieves +5.15\% training-average reward than PPO (0.725 vs 0.689), negligible reward crashes, and superior KL control than ppo . Our method adds minimal computational overhead and provides an interpretable, crash-resistant RLHF framework that maintains aggressive learning speed while ensuring stable long-horizon optimization suitable for production deployment. Code is available at https://github.com/ryyzn9/SAFE

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

Offline preference optimization allows fine-tuning large models directly from offline data, and has proved effective in recent alignment practices. We propose generalized preference optimization (GPO), a family of offline losses parameterized by a general class of convex functions. GPO enables a unified view over preference optimization, encompassing existing algorithms such as DPO, IPO and SLiC as special cases, while naturally introducing new variants. The GPO framework also sheds light on how offline algorithms enforce regularization, through the design of the convex function that defines the loss. Our analysis and experiments reveal the connections and subtle differences between the offline regularization and the KL divergence regularization intended by the canonical RLHF formulation. In a controlled setting akin to Gao et al 2023, we also show that different GPO variants achieve similar trade-offs between regularization and performance, though the optimal values of hyper-parameter might differ as predicted by theory. In all, our results present new algorithmic toolkits and empirical insights to alignment practitioners.

Multiobjective combinatorial optimization (MOCO) problems can be found in many real-world applications. However, exactly solving these problems would be very challenging, particularly when they are NP-hard. Many handcrafted heuristic methods have been proposed to tackle different MOCO problems over the past decades. In this work, we generalize the idea of neural combinatorial optimization, and develop a learning-based approach to approximate the whole Pareto set for a given MOCO problem without further search procedure. We propose a single preference-conditioned model to directly generate approximate Pareto solutions for any trade-off preference, and design an efficient multiobjective reinforcement learning algorithm to train this model. Our proposed method can be treated as a learning-based extension for the widely-used decomposition-based multiobjective evolutionary algorithm (MOEA/D). It uses a single model to accommodate all the possible preferences, whereas other methods use a finite number of solutions to approximate the Pareto set. Experimental results show that our proposed method significantly outperforms some other methods on the multiobjective traveling salesman problem, multiobjective vehicle routing problem, and multiobjective knapsack problem in terms of solution quality, speed, and model efficiency.

Continual learning aims to enable a single model to learn a sequence of tasks without catastrophic forgetting. Top-performing methods usually require a rehearsal buffer to store past pristine examples for experience replay, which, however, limits their practical value due to privacy and memory constraints. In this work, we present a simple yet effective framework, DualPrompt, which learns a tiny set of parameters, called prompts, to properly instruct a pre-trained model to learn tasks arriving sequentially without buffering past examples. DualPrompt presents a novel approach to attach complementary prompts to the pre-trained backbone, and then formulates the objective as learning task-invariant and task-specific "instructions". With extensive experimental validation, DualPrompt consistently sets state-of-the-art performance under the challenging class-incremental setting. In particular, DualPrompt outperforms recent advanced continual learning methods with relatively large buffer sizes. We also introduce a more challenging benchmark, Split ImageNet-R, to help generalize rehearsal-free continual learning research. Source code is available at https://github.com/google-research/l2p.

In this paper, we consider non-convex multi-block bilevel optimization (MBBO) problems, which involve mgg 1 lower level problems and have important applications in machine learning. Designing a stochastic gradient and controlling its variance is more intricate due to the hierarchical sampling of blocks and data and the unique challenge of estimating hyper-gradient. We aim to achieve three nice properties for our algorithm: (a) matching the state-of-the-art complexity of standard BO problems with a single block; (b) achieving parallel speedup by sampling I blocks and sampling B samples for each sampled block per-iteration; (c) avoiding the computation of the inverse of a high-dimensional Hessian matrix estimator. However, it is non-trivial to achieve all of these by observing that existing works only achieve one or two of these properties. To address the involved challenges for achieving (a, b, c), we propose two stochastic algorithms by using advanced blockwise variance-reduction techniques for tracking the Hessian matrices (for low-dimensional problems) or the Hessian-vector products (for high-dimensional problems), and prove an iteration complexity of O(mepsilon^{-3I(I<m)}{II} + mepsilon^{-3}{IB}) for finding an epsilon-stationary point under appropriate conditions. We also conduct experiments to verify the effectiveness of the proposed algorithms comparing with existing MBBO algorithms.

Sequential learning with Gaussian processes (GPs) is challenging when access to past data is limited, for example, in continual and active learning. In such cases, errors can accumulate over time due to inaccuracies in the posterior, hyperparameters, and inducing points, making accurate learning challenging. Here, we present a method to keep all such errors in check using the recently proposed dual sparse variational GP. Our method enables accurate inference for generic likelihoods and improves learning by actively building and updating a memory of past data. We demonstrate its effectiveness in several applications involving Bayesian optimization, active learning, and continual learning.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Learning to Optimize (L2O), a technique that utilizes machine learning to learn an optimization algorithm automatically from data, has gained arising attention in recent years. A generic L2O approach parameterizes the iterative update rule and learns the update direction as a black-box network. While the generic approach is widely applicable, the learned model can overfit and may not generalize well to out-of-distribution test sets. In this paper, we derive the basic mathematical conditions that successful update rules commonly satisfy. Consequently, we propose a novel L2O model with a mathematics-inspired structure that is broadly applicable and generalized well to out-of-distribution problems. Numerical simulations validate our theoretical findings and demonstrate the superior empirical performance of the proposed L2O model.

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

This paper studies distributional model risk in marginal problems, where each marginal measure is assumed to lie in a Wasserstein ball centered at a fixed reference measure with a given radius. Theoretically, we establish several fundamental results including strong duality, finiteness of the proposed Wasserstein distributional model risk, and the existence of an optimizer at each radius. In addition, we show continuity of the Wasserstein distributional model risk as a function of the radius. Using strong duality, we extend the well-known Makarov bounds for the distribution function of the sum of two random variables with given marginals to Wasserstein distributionally robust Markarov bounds. Practically, we illustrate our results on four distinct applications when the sample information comes from multiple data sources and only some marginal reference measures are identified. They are: partial identification of treatment effects; externally valid treatment choice via robust welfare functions; Wasserstein distributionally robust estimation under data combination; and evaluation of the worst aggregate risk measures.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

In this paper, we introduce a novel theoretical framework for multi-task regression, applying random matrix theory to provide precise performance estimations, under high-dimensional, non-Gaussian data distributions. We formulate a multi-task optimization problem as a regularization technique to enable single-task models to leverage multi-task learning information. We derive a closed-form solution for multi-task optimization in the context of linear models. Our analysis provides valuable insights by linking the multi-task learning performance to various model statistics such as raw data covariances, signal-generating hyperplanes, noise levels, as well as the size and number of datasets. We finally propose a consistent estimation of training and testing errors, thereby offering a robust foundation for hyperparameter optimization in multi-task regression scenarios. Experimental validations on both synthetic and real-world datasets in regression and multivariate time series forecasting demonstrate improvements on univariate models, incorporating our method into the training loss and thus leveraging multivariate information.

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

We demonstrate that from an algorithm guaranteeing an approximation factor for the ratio of submodular (RS) optimization problem, we can build another algorithm having a different kind of approximation guarantee -- weaker than the classical one -- for the difference of submodular (DS) optimization problem, and vice versa. We also illustrate the link between these two problems by analyzing a Greedy algorithm which approximately maximizes objective functions of the form Ψ(f,g), where f,g are two non-negative, monotone, submodular functions and Ψ is a {quasiconvex} 2-variables function, which is non decreasing with respect to the first variable. For the choice Ψ(f,g)triangleq f/g, we recover RS, and for the choice Ψ(f,g)triangleq f-g, we recover DS. To the best of our knowledge, this greedy approach is new for DS optimization. For RS optimization, it reduces to the standard GreedRatio algorithm that has already been analyzed previously. However, our analysis is novel for this case.