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SubscribeDAGs with NO TEARS: Continuous Optimization for Structure Learning
Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: We formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless. The proposed method outperforms existing ones, without imposing any structural assumptions on the graph such as bounded treewidth or in-degree. Code implementing the proposed algorithm is open-source and publicly available at https://github.com/xunzheng/notears.
Gradient-Based Program Repair: Fixing Bugs in Continuous Program Spaces
Automatic program repair seeks to generate correct code from buggy programs, with most approaches searching the correct program in a discrete, symbolic space of source code tokens. This symbolic search is fundamentally limited by its inability to directly reason about program behavior. We introduce Gradient-Based Program Repair (GBPR), a new paradigm that reframes program repair as continuous optimization in a differentiable numerical program space. Our core insight is to compile symbolic programs into differentiable numerical representations, enabling search in the numerical program space directly guided by program behavior. To evaluate GBPR, we present RaspBugs, a new benchmark of 1,466 buggy symbolic RASP programs and their respective numerical representations. Our experiments demonstrate that GBPR can effectively repair buggy symbolic programs by gradient-based optimization in the numerical program space, with convincing repair trajectories. To our knowledge, we are the first to state program repair as continuous optimization in a numerical program space. Our work establishes a new direction for program repair research, bridging two rich worlds: continuous optimization and program behavior.
MPO: Boosting LLM Agents with Meta Plan Optimization
Recent advancements in large language models (LLMs) have enabled LLM-based agents to successfully tackle interactive planning tasks. However, despite their successes, existing approaches often suffer from planning hallucinations and require retraining for each new agent. To address these challenges, we propose the Meta Plan Optimization (MPO) framework, which enhances agent planning capabilities by directly incorporating explicit guidance. Unlike previous methods that rely on complex knowledge, which either require significant human effort or lack quality assurance, MPO leverages high-level general guidance through meta plans to assist agent planning and enables continuous optimization of the meta plans based on feedback from the agent's task execution. Our experiments conducted on two representative tasks demonstrate that MPO significantly outperforms existing baselines. Moreover, our analysis indicates that MPO provides a plug-and-play solution that enhances both task completion efficiency and generalization capabilities in previous unseen scenarios.
MARS: A Multi-Agent Framework Incorporating Socratic Guidance for Automated Prompt Optimization
The basic question-answering format of large language models involves inputting a prompt and receiving a response, and the quality of the prompt directly impacts the effectiveness of the response. Automated Prompt Optimization (APO) aims to break free from the cognitive biases of manually designed prompts and explores a broader design space for prompts. However, existing APO methods suffer from limited flexibility of fixed templates and inefficient search in prompt spaces as key issues. To this end, we propose a Multi-Agent framework Incorporating Socratic guidance (MARS), which utilizes multi-agent fusion technology for automatic planning, with gradual continuous optimization and evaluation. Specifically, MARS comprises seven agents, each with distinct functionalities, which autonomously use the Planner to devise an optimization path that ensures flexibility. Additionally, it employs a Teacher-Critic-Student Socratic dialogue pattern to iteratively optimize the prompts while conducting effective search. We conduct extensive experiments on various datasets to validate the effectiveness of our method, and perform additional analytical experiments to assess the model's advancement as well as the interpretability.
Can Transformers Do Enumerative Geometry?
How can Transformers model and learn enumerative geometry? What is a robust procedure for using Transformers in abductive knowledge discovery within a mathematician-machine collaboration? In this work, we introduce a Transformer-based approach to computational enumerative geometry, specifically targeting the computation of psi-class intersection numbers on the moduli space of curves. By reformulating the problem as a continuous optimization task, we compute intersection numbers across a wide value range from 10^{-45} to 10^{45}. To capture the recursive nature inherent in these intersection numbers, we propose the Dynamic Range Activator (DRA), a new activation function that enhances the Transformer's ability to model recursive patterns and handle severe heteroscedasticity. Given precision requirements for computing the intersections, we quantify the uncertainty of the predictions using Conformal Prediction with a dynamic sliding window adaptive to the partitions of equivalent number of marked points. To the best of our knowledge, there has been no prior work on modeling recursive functions with such a high-variance and factorial growth. Beyond simply computing intersection numbers, we explore the enumerative "world-model" of Transformers. Our interpretability analysis reveals that the network is implicitly modeling the Virasoro constraints in a purely data-driven manner. Moreover, through abductive hypothesis testing, probing, and causal inference, we uncover evidence of an emergent internal representation of the the large-genus asymptotic of psi-class intersection numbers. These findings suggest that the network internalizes the parameters of the asymptotic closed-form and the polynomiality phenomenon of psi-class intersection numbers in a non-linear manner.
ODE Discovery for Longitudinal Heterogeneous Treatment Effects Inference
Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even longitudinal settings. While very diverse, the solution has mostly relied on neural networks for inference and simultaneous correction of assignment bias. New approaches typically build on top of previous approaches by proposing new (or refined) architectures and learning algorithms. However, the end result -- a neural-network-based inference machine -- remains unchallenged. In this paper, we introduce a different type of solution in the longitudinal setting: a closed-form ordinary differential equation (ODE). While we still rely on continuous optimization to learn an ODE, the resulting inference machine is no longer a neural network. Doing so yields several advantages such as interpretability, irregular sampling, and a different set of identification assumptions. Above all, we consider the introduction of a completely new type of solution to be our most important contribution as it may spark entirely new innovations in treatment effects in general. We facilitate this by formulating our contribution as a framework that can transform any ODE discovery method into a treatment effects method.
Constraint-Free Structure Learning with Smooth Acyclic Orientations
The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.
Large Language Models Illuminate a Progressive Pathway to Artificial Healthcare Assistant: A Review
With the rapid development of artificial intelligence, large language models (LLMs) have shown promising capabilities in mimicking human-level language comprehension and reasoning. This has sparked significant interest in applying LLMs to enhance various aspects of healthcare, ranging from medical education to clinical decision support. However, medicine involves multifaceted data modalities and nuanced reasoning skills, presenting challenges for integrating LLMs. This paper provides a comprehensive review on the applications and implications of LLMs in medicine. It begins by examining the fundamental applications of general-purpose and specialized LLMs, demonstrating their utilities in knowledge retrieval, research support, clinical workflow automation, and diagnostic assistance. Recognizing the inherent multimodality of medicine, the review then focuses on multimodal LLMs, investigating their ability to process diverse data types like medical imaging and EHRs to augment diagnostic accuracy. To address LLMs' limitations regarding personalization and complex clinical reasoning, the paper explores the emerging development of LLM-powered autonomous agents for healthcare. Furthermore, it summarizes the evaluation methodologies for assessing LLMs' reliability and safety in medical contexts. Overall, this review offers an extensive analysis on the transformative potential of LLMs in modern medicine. It also highlights the pivotal need for continuous optimizations and ethical oversight before these models can be effectively integrated into clinical practice. Visit https://github.com/mingze-yuan/Awesome-LLM-Healthcare for an accompanying GitHub repository containing latest papers.
GUI-G$^2$: Gaussian Reward Modeling for GUI Grounding
Graphical User Interface (GUI) grounding maps natural language instructions to precise interface locations for autonomous interaction. Current reinforcement learning approaches use binary rewards that treat elements as hit-or-miss targets, creating sparse signals that ignore the continuous nature of spatial interactions. Motivated by human clicking behavior that naturally forms Gaussian distributions centered on target elements, we introduce GUI Gaussian Grounding Rewards (GUI-G^2), a principled reward framework that models GUI elements as continuous Gaussian distributions across the interface plane. GUI-G^2 incorporates two synergistic mechanisms: Gaussian point rewards model precise localization through exponentially decaying distributions centered on element centroids, while coverage rewards assess spatial alignment by measuring the overlap between predicted Gaussian distributions and target regions. To handle diverse element scales, we develop an adaptive variance mechanism that calibrates reward distributions based on element dimensions. This framework transforms GUI grounding from sparse binary classification to dense continuous optimization, where Gaussian distributions generate rich gradient signals that guide models toward optimal interaction positions. Extensive experiments across ScreenSpot, ScreenSpot-v2, and ScreenSpot-Pro benchmarks demonstrate that GUI-G^2, substantially outperforms state-of-the-art method UI-TARS-72B, with the most significant improvement of 24.7% on ScreenSpot-Pro. Our analysis reveals that continuous modeling provides superior robustness to interface variations and enhanced generalization to unseen layouts, establishing a new paradigm for spatial reasoning in GUI interaction tasks.
Differentiable DAG Sampling
We propose a new differentiable probabilistic model over DAGs (DP-DAG). DP-DAG allows fast and differentiable DAG sampling suited to continuous optimization. To this end, DP-DAG samples a DAG by successively (1) sampling a linear ordering of the node and (2) sampling edges consistent with the sampled linear ordering. We further propose VI-DP-DAG, a new method for DAG learning from observational data which combines DP-DAG with variational inference. Hence,VI-DP-DAG approximates the posterior probability over DAG edges given the observed data. VI-DP-DAG is guaranteed to output a valid DAG at any time during training and does not require any complex augmented Lagrangian optimization scheme in contrast to existing differentiable DAG learning approaches. In our extensive experiments, we compare VI-DP-DAG to other differentiable DAG learning baselines on synthetic and real datasets. VI-DP-DAG significantly improves DAG structure and causal mechanism learning while training faster than competitors.
Improving Out-of-distribution Human Activity Recognition via IMU-Video Cross-modal Representation Learning
Human Activity Recognition (HAR) based on wearable inertial sensors plays a critical role in remote health monitoring. In patients with movement disorders, the ability to detect abnormal patient movements in their home environments can enable continuous optimization of treatments and help alert caretakers as needed. Machine learning approaches have been proposed for HAR tasks using Inertial Measurement Unit (IMU) data; however, most rely on application-specific labels and lack generalizability to data collected in different environments or populations. To address this limitation, we propose a new cross-modal self-supervised pretraining approach to learn representations from large-sale unlabeled IMU-video data and demonstrate improved generalizability in HAR tasks on out of distribution (OOD) IMU datasets, including a dataset collected from patients with Parkinson's disease. Specifically, our results indicate that the proposed cross-modal pretraining approach outperforms the current state-of-the-art IMU-video pretraining approach and IMU-only pretraining under zero-shot and few-shot evaluations. Broadly, our study provides evidence that in highly dynamic data modalities, such as IMU signals, cross-modal pretraining may be a useful tool to learn generalizable data representations. Our software is available at https://github.com/scheshmi/IMU-Video-OOD-HAR.
On the SDEs and Scaling Rules for Adaptive Gradient Algorithms
Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a square root scaling rule to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.
Learning Neural Causal Models with Active Interventions
Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.
FlexDoc: Flexible Document Adaptation through Optimizing both Content and Layout
Designing adaptive documents that are visually appealing across various devices and for diverse viewers is a challenging task. This is due to the wide variety of devices and different viewer requirements and preferences. Alterations to a document's content, style, or layout often necessitate numerous adjustments, potentially leading to a complete layout redesign. We introduce FlexDoc, a framework for creating and consuming documents that seamlessly adapt to different devices, author, and viewer preferences and interactions. It eliminates the need for manually creating multiple document layouts, as FlexDoc enables authors to define desired document properties using templates and employs both discrete and continuous optimization in a novel comprehensive optimization process, which leverages automatic text summarization and image carving techniques to adapt both layout and content during consumption dynamically. Furthermore, we demonstrate FlexDoc in multiple real-world application scenarios, such as news readers and academic papers.
UPop: Unified and Progressive Pruning for Compressing Vision-Language Transformers
Real-world data contains a vast amount of multimodal information, among which vision and language are the two most representative modalities. Moreover, increasingly heavier models, e.g., Transformers, have attracted the attention of researchers to model compression. However, how to compress multimodal models, especially vison-language Transformers, is still under-explored. This paper proposes the Unified and Progressive Pruning (\emph{UPop}) as a universal vison-language Transformer compression framework, which incorporates 1) unifiedly searching multimodal subnets in a continuous optimization space from the original model, which enables automatic assignment of pruning ratios among compressible modalities and structures; 2) progressively searching and retraining the subnet, which maintains convergence between the search and retrain to attain higher compression ratios. Experiments on various tasks, datasets, and model architectures demonstrate the effectiveness and versatility of the proposed UPop framework. The code is available at https://github.com/sdc17/UPop.
Sparse-view Pose Estimation and Reconstruction via Analysis by Generative Synthesis
Inferring the 3D structure underlying a set of multi-view images typically requires solving two co-dependent tasks -- accurate 3D reconstruction requires precise camera poses, and predicting camera poses relies on (implicitly or explicitly) modeling the underlying 3D. The classical framework of analysis by synthesis casts this inference as a joint optimization seeking to explain the observed pixels, and recent instantiations learn expressive 3D representations (e.g., Neural Fields) with gradient-descent-based pose refinement of initial pose estimates. However, given a sparse set of observed views, the observations may not provide sufficient direct evidence to obtain complete and accurate 3D. Moreover, large errors in pose estimation may not be easily corrected and can further degrade the inferred 3D. To allow robust 3D reconstruction and pose estimation in this challenging setup, we propose SparseAGS, a method that adapts this analysis-by-synthesis approach by: a) including novel-view-synthesis-based generative priors in conjunction with photometric objectives to improve the quality of the inferred 3D, and b) explicitly reasoning about outliers and using a discrete search with a continuous optimization-based strategy to correct them. We validate our framework across real-world and synthetic datasets in combination with several off-the-shelf pose estimation systems as initialization. We find that it significantly improves the base systems' pose accuracy while yielding high-quality 3D reconstructions that outperform the results from current multi-view reconstruction baselines.
Continuous Subspace Optimization for Continual Learning
Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained increasing popularity in mitigating this issue, due to the strong generalization ability of foundation models. To adjust pre-trained models for new tasks, existing methods usually employ low-rank adaptation, which restricts parameter updates to a fixed low-rank subspace. However, constraining the optimization space inherently compromises the model's learning capacity, resulting in inferior performance. To address this limitation, we propose Continuous Subspace Optimization for Continual Learning (CoSO) to fine-tune the model in a series of subspaces rather than a single one. These sequential subspaces are dynamically determined through the singular value decomposition of the gradients. CoSO updates the model by projecting gradients onto these subspaces, ensuring memory-efficient optimization. To mitigate forgetting, the optimization subspace of each task is constrained to be orthogonal to the historical task subspace. During task learning, CoSO maintains a task-specific component that captures the critical update directions for the current task. Upon completing a task, this component is used to update the historical task subspace, laying the groundwork for subsequent learning. Extensive experiments on multiple datasets demonstrate that CoSO significantly outperforms state-of-the-art methods, especially in challenging scenarios with long task sequences.
Multiphysics Continuous Shape Optimization of the TAP Reactor Components
The Transatomic Power (TAP) reactor has an unusual design for a molten salt reactor technology, building upon the foundation laid by the Molten Salt Reactor Experiment (MSRE). This design introduces three key modifications to enhance efficiency and compactness: a revised fuel salt composition, an alternative moderator material, and moderator pins surrounded by the molten salt fuel. Unlike traditional solid-fueled reactors that rely on excess positive reactivity at the beginning of life, the TAP concept employs a dynamic approach. The core's design, featuring a cylindrical geometry with square assemblies of moderator rods surrounded by flowing fuel salt, provides flexibility in adjusting the moderator-to-fuel ratio during operation - using movable moderator rods - further adding criticality control capability in addition to the control rods system. Shape optimization of the core can play a crucial role in enhancing performance and efficiency. By applying multiphysics continuous shape optimization techniques to key components, such as the unit cells of the TAP reactor or its moderator assemblies, we can fine-tune the reactor's geometry to achieve optimal performance in key physics like neutronics and thermal hydraulics. We explore this aspect using the optimization module in the Multiphysics Object Oriented Simulation Environment (MOOSE) framework which allows for multiphysics continuous shape optimization. The results reported here illustrate the benefits of applying continuous shape optimization in the design of nuclear reactor components and can help in extending the TAP reactor's performance.
Autonomous Deep Agent
This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task DAG (HTDAG) framework, which dynamically decomposes high-level objectives into manageable sub-tasks while rigorously maintaining dependencies and execution coherence. Deep Agent advances beyond traditional agent systems through three key innovations: First, it implements a recursive two-stage planner-executor architecture that enables continuous task refinement and adaptation as circumstances change. Second, it features an Autonomous API & Tool Creation (AATC) system that automatically generates reusable components from UI interactions, substantially reducing operational costs for similar tasks. Third, it incorporates Prompt Tweaking Engine and Autonomous Prompt Feedback Learning components that optimize Large Language Model prompts for specific scenarios, enhancing both inference accuracy and operational stability. These components are integrated to form a service infrastructure that manages user contexts, handles complex task dependencies, and orchestrates end-to-end agentic workflow execution. Through this sophisticated architecture, Deep Agent establishes a novel paradigm in self-governing AI systems, demonstrating robust capability to independently handle intricate, multi-step tasks while maintaining consistent efficiency and reliability through continuous self-optimization.
CoLiDE: Concomitant Linear DAG Estimation
We deal with the combinatorial problem of learning directed acyclic graph (DAG) structure from observational data adhering to a linear structural equation model (SEM). Leveraging advances in differentiable, nonconvex characterizations of acyclicity, recent efforts have advocated a continuous constrained optimization paradigm to efficiently explore the space of DAGs. Most existing methods employ lasso-type score functions to guide this search, which (i) require expensive penalty parameter retuning when the unknown SEM noise variances change across problem instances; and (ii) implicitly rely on limiting homoscedasticity assumptions. In this work, we propose a new convex score function for sparsity-aware learning of linear DAGs, which incorporates concomitant estimation of scale and thus effectively decouples the sparsity parameter from the exogenous noise levels. Regularization via a smooth, nonconvex acyclicity penalty term yields CoLiDE (Concomitant Linear DAG Estimation), a regression-based criterion amenable to efficient gradient computation and closed-form estimation of noise variances in heteroscedastic scenarios. Our algorithm outperforms state-of-the-art methods without incurring added complexity, especially when the DAGs are larger and the noise level profile is heterogeneous. We also find CoLiDE exhibits enhanced stability manifested via reduced standard deviations in several domain-specific metrics, underscoring the robustness of our novel linear DAG estimator.
LAMP: Extracting Text from Gradients with Language Model Priors
Recent work shows that sensitive user data can be reconstructed from gradient updates, breaking the key privacy promise of federated learning. While success was demonstrated primarily on image data, these methods do not directly transfer to other domains such as text. In this work, we propose LAMP, a novel attack tailored to textual data, that successfully reconstructs original text from gradients. Our attack is based on two key insights: (i) modeling prior text probability with an auxiliary language model, guiding the search towards more natural text, and (ii) alternating continuous and discrete optimization, which minimizes reconstruction loss on embeddings, while avoiding local minima by applying discrete text transformations. Our experiments demonstrate that LAMP is significantly more effective than prior work: it reconstructs 5x more bigrams and 23% longer subsequences on average. Moreover, we are the first to recover inputs from batch sizes larger than 1 for textual models. These findings indicate that gradient updates of models operating on textual data leak more information than previously thought.
A Post-Training Enhanced Optimization Approach for Small Language Models
This paper delves into the continuous post-training optimization methods for small language models, and proposes a continuous post-training alignment data construction method for small language models. The core of this method is based on the data guidance of large models, optimizing the diversity and accuracy of alignment data. In addition, to verify the effectiveness of the methods in this paper, we used Qwen2-0.5B-Instruct model as the baseline model for small language models, using the alignment dataset constructed by our proposed method, we trained and compared several groups of experiments, including SFT (Supervised Fine Tuning) post-training experiment and KTO (Kahneman Tversky optimization) post-training experiment, as well as SFT-KTO two-stage post-training experiment and model weight fusion experiment. Finally, we evaluated and analyzed the performance of post-training models, and confirmed that the continuous post-training optimization method proposed by us can significantly improve the performance of small language models.
Hyperparameter optimization with approximate gradient
Most models in machine learning contain at least one hyperparameter to control for model complexity. Choosing an appropriate set of hyperparameters is both crucial in terms of model accuracy and computationally challenging. In this work we propose an algorithm for the optimization of continuous hyperparameters using inexact gradient information. An advantage of this method is that hyperparameters can be updated before model parameters have fully converged. We also give sufficient conditions for the global convergence of this method, based on regularity conditions of the involved functions and summability of errors. Finally, we validate the empirical performance of this method on the estimation of regularization constants of L2-regularized logistic regression and kernel Ridge regression. Empirical benchmarks indicate that our approach is highly competitive with respect to state of the art methods.
A Tutorial on Bayesian Optimization
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.
Unified Projection-Free Algorithms for Adversarial DR-Submodular Optimization
This paper introduces unified projection-free Frank-Wolfe type algorithms for adversarial continuous DR-submodular optimization, spanning scenarios such as full information and (semi-)bandit feedback, monotone and non-monotone functions, different constraints, and types of stochastic queries. For every problem considered in the non-monotone setting, the proposed algorithms are either the first with proven sub-linear alpha-regret bounds or have better alpha-regret bounds than the state of the art, where alpha is a corresponding approximation bound in the offline setting. In the monotone setting, the proposed approach gives state-of-the-art sub-linear alpha-regret bounds among projection-free algorithms in 7 of the 8 considered cases while matching the result of the remaining case. Additionally, this paper addresses semi-bandit and bandit feedback for adversarial DR-submodular optimization, advancing the understanding of this optimization area.
iKalibr: Unified Targetless Spatiotemporal Calibration for Resilient Integrated Inertial Systems
The integrated inertial system, typically integrating an IMU and an exteroceptive sensor such as radar, LiDAR, and camera, has been widely accepted and applied in modern robotic applications for ego-motion estimation, motion control, or autonomous exploration. To improve system accuracy, robustness, and further usability, both multiple and various sensors are generally resiliently integrated, which benefits the system performance regarding failure tolerance, perception capability, and environment compatibility. For such systems, accurate and consistent spatiotemporal calibration is required to maintain a unique spatiotemporal framework for multi-sensor fusion. Considering most existing calibration methods (i) are generally oriented to specific integrated inertial systems, (ii) often only focus on spatial determination, (iii) usually require artificial targets, lacking convenience and usability, we propose iKalibr: a unified targetless spatiotemporal calibration framework for resilient integrated inertial systems, which overcomes the above issues, and enables both accurate and consistent calibration. Altogether four commonly employed sensors are supported in iKalibr currently, namely IMU, radar, LiDAR, and camera. The proposed method starts with a rigorous and efficient dynamic initialization, where all parameters in the estimator would be accurately recovered. Subsequently, several continuous-time batch optimizations are conducted to refine the initialized parameters toward better states. Sufficient real-world experiments were conducted to verify the feasibility and evaluate the calibration performance of iKalibr. The results demonstrate that iKalibr can achieve accurate resilient spatiotemporal calibration. We open-source our implementations at (https://github.com/Unsigned-Long/iKalibr) to benefit the research community.
RLEEGNet: Integrating Brain-Computer Interfaces with Adaptive AI for Intuitive Responsiveness and High-Accuracy Motor Imagery Classification
Current approaches to prosthetic control are limited by their reliance on traditional methods, which lack real-time adaptability and intuitive responsiveness. These limitations are particularly pronounced in assistive technologies designed for individuals with diverse cognitive states and motor intentions. In this paper, we introduce a framework that leverages Reinforcement Learning (RL) with Deep Q-Networks (DQN) for classification tasks. Additionally, we present a preprocessing technique using the Common Spatial Pattern (CSP) for multiclass motor imagery (MI) classification in a One-Versus-The-Rest (OVR) manner. The subsequent 'csp space' transformation retains the temporal dimension of EEG signals, crucial for extracting discriminative features. The integration of DQN with a 1D-CNN-LSTM architecture optimizes the decision-making process in real-time, thereby enhancing the system's adaptability to the user's evolving needs and intentions. We elaborate on the data processing methods for two EEG motor imagery datasets. Our innovative model, RLEEGNet, incorporates a 1D-CNN-LSTM architecture as the Online Q-Network within the DQN, facilitating continuous adaptation and optimization of control strategies through feedback. This mechanism allows the system to learn optimal actions through trial and error, progressively improving its performance. RLEEGNet demonstrates high accuracy in classifying MI-EEG signals, achieving as high as 100% accuracy in MI tasks across both the GigaScience (3-class) and BCI-IV-2a (4-class) datasets. These results highlight the potential of combining DQN with a 1D-CNN-LSTM architecture to significantly enhance the adaptability and responsiveness of BCI systems.
TO-FLOW: Efficient Continuous Normalizing Flows with Temporal Optimization adjoint with Moving Speed
Continuous normalizing flows (CNFs) construct invertible mappings between an arbitrary complex distribution and an isotropic Gaussian distribution using Neural Ordinary Differential Equations (neural ODEs). It has not been tractable on large datasets due to the incremental complexity of the neural ODE training. Optimal Transport theory has been applied to regularize the dynamics of the ODE to speed up training in recent works. In this paper, a temporal optimization is proposed by optimizing the evolutionary time for forward propagation of the neural ODE training. In this appoach, we optimize the network weights of the CNF alternately with evolutionary time by coordinate descent. Further with temporal regularization, stability of the evolution is ensured. This approach can be used in conjunction with the original regularization approach. We have experimentally demonstrated that the proposed approach can significantly accelerate training without sacrifying performance over baseline models.
Enhancing Cluster Scheduling in HPC: A Continuous Transfer Learning for Real-Time Optimization
This study presents a machine learning-assisted approach to optimize task scheduling in cluster systems, focusing on node-affinity constraints. Traditional schedulers like Kubernetes struggle with real-time adaptability, whereas the proposed continuous transfer learning model evolves dynamically during operations, minimizing retraining needs. Evaluated on Google Cluster Data, the model achieves over 99% accuracy, reducing computational overhead and improving scheduling latency for constrained tasks. This scalable solution enables real-time optimization, advancing machine learning integration in cluster management and paving the way for future adaptive scheduling strategies.
Continuous Chain of Thought Enables Parallel Exploration and Reasoning
Current language models generate chain-of-thought traces by autoregressively sampling tokens from a finite vocabulary. While this discrete sampling has achieved remarkable success, conducting chain-of-thought with continuously-valued tokens (CoT2) offers a richer and more expressive alternative. Our work examines the benefits of CoT2 through logical reasoning tasks that inherently require search capabilities and provide optimization and exploration methods for CoT2. Theoretically, we show that CoT2 allows the model to track multiple traces in parallel and quantify its benefits for inference efficiency. Notably, one layer transformer equipped with CoT2 can provably solve the combinatorial "subset sum problem" given sufficient embedding dimension. These insights lead to a novel and effective supervision strategy where we match the softmax outputs to the empirical token distributions of a set of target traces. Complementing this, we introduce sampling strategies that unlock policy optimization and self-improvement for CoT2. Our first strategy samples and composes K discrete tokens at each decoding step to control the level of parallelism, and reduces to standard CoT when K=1. Our second strategy relies on continuous exploration over the probability simplex. Experiments confirm that policy optimization with CoT2 indeed improves the performance of the model beyond its initial discrete or continuous supervision.
TOMATOES: Topology and Material Optimization for Latent Heat Thermal Energy Storage Devices
Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost effective devices. Topology optimization (TO) has emerged as a powerful computational tool to design LHTES systems by optimally distributing a high-conductivity material (HCM) and a phase change material (PCM). However, conventional TO typically limits to optimizing the geometry for a fixed, pre-selected materials. This approach does not leverage the large and expanding databases of novel materials. Consequently, the co-design of material and geometry for LHTES remains a challenge and unexplored. To address this limitation, we present an automated design framework for the concurrent optimization of material choice and topology. A key challenge is the discrete nature of material selection, which is incompatible with the gradient-based methods used for TO. We overcome this by using a data-driven variational autoencoder (VAE) to project discrete material databases for both the HCM and PCM onto continuous and differentiable latent spaces. These continuous material representations are integrated into an end-to-end differentiable, transient nonlinear finite-element solver that accounts for phase change. We demonstrate this framework on a problem aimed at maximizing the discharged energy within a specified time, subject to cost constraints. The effectiveness of the proposed method is validated through several illustrative examples.
Competitive Gradient Optimization
We study the problem of convergence to a stationary point in zero-sum games. We propose competitive gradient optimization (CGO ), a gradient-based method that incorporates the interactions between the two players in zero-sum games for optimization updates. We provide continuous-time analysis of CGO and its convergence properties while showing that in the continuous limit, CGO predecessors degenerate to their gradient descent ascent (GDA) variants. We provide a rate of convergence to stationary points and further propose a generalized class of alpha-coherent function for which we provide convergence analysis. We show that for strictly alpha-coherent functions, our algorithm convergences to a saddle point. Moreover, we propose optimistic CGO (OCGO), an optimistic variant, for which we show convergence rate to saddle points in alpha-coherent class of functions.
Diffusion Policy Policy Optimization
We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io
Continuous Layout Editing of Single Images with Diffusion Models
Recent advancements in large-scale text-to-image diffusion models have enabled many applications in image editing. However, none of these methods have been able to edit the layout of single existing images. To address this gap, we propose the first framework for layout editing of a single image while preserving its visual properties, thus allowing for continuous editing on a single image. Our approach is achieved through two key modules. First, to preserve the characteristics of multiple objects within an image, we disentangle the concepts of different objects and embed them into separate textual tokens using a novel method called masked textual inversion. Next, we propose a training-free optimization method to perform layout control for a pre-trained diffusion model, which allows us to regenerate images with learned concepts and align them with user-specified layouts. As the first framework to edit the layout of existing images, we demonstrate that our method is effective and outperforms other baselines that were modified to support this task. Our code will be freely available for public use upon acceptance.
Lion Secretly Solves Constrained Optimization: As Lyapunov Predicts
Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function f(x) while enforcing a bound constraint |x|_infty leq 1/lambda. Lion achieves this through the incorporation of decoupled weight decay, where lambda represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-kappa algorithms, where the sign(cdot) operator in Lion is replaced by the subgradient of a convex function kappa, leading to the solution of a general composite optimization problem of min_x f(x) + kappa^*(x). Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.
Investigation of reinforcement learning for shape optimization of profile extrusion dies
Profile extrusion is a continuous production process for manufacturing plastic profiles from molten polymer. Especially interesting is the design of the die, through which the melt is pressed to attain the desired shape. However, due to an inhomogeneous velocity distribution at the die exit or residual stresses inside the extrudate, the final shape of the manufactured part often deviates from the desired one. To avoid these deviations, the shape of the die can be computationally optimized, which has already been investigated in the literature using classical optimization approaches. A new approach in the field of shape optimization is the utilization of Reinforcement Learning (RL) as a learning-based optimization algorithm. RL is based on trial-and-error interactions of an agent with an environment. For each action, the agent is rewarded and informed about the subsequent state of the environment. While not necessarily superior to classical, e.g., gradient-based or evolutionary, optimization algorithms for one single problem, RL techniques are expected to perform especially well when similar optimization tasks are repeated since the agent learns a more general strategy for generating optimal shapes instead of concentrating on just one single problem. In this work, we investigate this approach by applying it to two 2D test cases. The flow-channel geometry can be modified by the RL agent using so-called Free-Form Deformation, a method where the computational mesh is embedded into a transformation spline, which is then manipulated based on the control-point positions. In particular, we investigate the impact of utilizing different agents on the training progress and the potential of wall time saving by utilizing multiple environments during training.
Black-box Optimization of LLM Outputs by Asking for Directions
We present a novel approach for attacking black-box large language models (LLMs) by exploiting their ability to express confidence in natural language. Existing black-box attacks require either access to continuous model outputs like logits or confidence scores (which are rarely available in practice), or rely on proxy signals from other models. Instead, we demonstrate how to prompt LLMs to express their internal confidence in a way that is sufficiently calibrated to enable effective adversarial optimization. We apply our general method to three attack scenarios: adversarial examples for vision-LLMs, jailbreaks and prompt injections. Our attacks successfully generate malicious inputs against systems that only expose textual outputs, thereby dramatically expanding the attack surface for deployed LLMs. We further find that better and larger models exhibit superior calibration when expressing confidence, creating a concerning security paradox where model capability improvements directly enhance vulnerability. Our code is available at this [link](https://github.com/zj-jayzhang/black_box_llm_optimization).
OptiProxy-NAS: Optimization Proxy based End-to-End Neural Architecture Search
Neural architecture search (NAS) is a hard computationally expensive optimization problem with a discrete, vast, and spiky search space. One of the key research efforts dedicated to this space focuses on accelerating NAS via certain proxy evaluations of neural architectures. Different from the prevalent predictor-based methods using surrogate models and differentiable architecture search via supernetworks, we propose an optimization proxy to streamline the NAS as an end-to-end optimization framework, named OptiProxy-NAS. In particular, using a proxy representation, the NAS space is reformulated to be continuous, differentiable, and smooth. Thereby, any differentiable optimization method can be applied to the gradient-based search of the relaxed architecture parameters. Our comprehensive experiments on 12 NAS tasks of 4 search spaces across three different domains including computer vision, natural language processing, and resource-constrained NAS fully demonstrate the superior search results and efficiency. Further experiments on low-fidelity scenarios verify the flexibility.
Gradient-Based Optimization of Core-Shell Particles with Discrete Materials for Directional Scattering
Designing nanophotonic structures traditionally grapples with the complexities of discrete parameters, such as real materials, often resorting to costly global optimization methods. This paper introduces an approach that leverages generative deep learning to map discrete parameter sets into a continuous latent space, enabling direct gradient-based optimization. For scenarios with non-differentiable physics evaluation functions, a neural network is employed as a differentiable surrogate model. The efficacy of this methodology is demonstrated by optimizing the directional scattering properties of core-shell nanoparticles composed of a selection of realistic materials. We derive suggestions for core-shell geometries with strong forward scattering and minimized backscattering. Our findings reveal significant improvements in computational efficiency and performance when compared to global optimization techniques. Beyond nanophotonics design problems, this framework holds promise for broad applications across all types of inverse problems constrained by discrete variables.
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
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.
Versatile Black-Box Optimization
Choosing automatically the right algorithm using problem descriptors is a classical component of combinatorial optimization. It is also a good tool for making evolutionary algorithms fast, robust and versatile. We present Shiwa, an algorithm good at both discrete and continuous, noisy and noise-free, sequential and parallel, black-box optimization. Our algorithm is experimentally compared to competitors on YABBOB, a BBOB comparable testbed, and on some variants of it, and then validated on several real world testbeds.
High-Dimensional Continuous Control Using Generalized Advantage Estimation
Policy gradient methods are an appealing approach in reinforcement learning because they directly optimize the cumulative reward and can straightforwardly be used with nonlinear function approximators such as neural networks. The two main challenges are the large number of samples typically required, and the difficulty of obtaining stable and steady improvement despite the nonstationarity of the incoming data. We address the first challenge by using value functions to substantially reduce the variance of policy gradient estimates at the cost of some bias, with an exponentially-weighted estimator of the advantage function that is analogous to TD(lambda). We address the second challenge by using trust region optimization procedure for both the policy and the value function, which are represented by neural networks. Our approach yields strong empirical results on highly challenging 3D locomotion tasks, learning running gaits for bipedal and quadrupedal simulated robots, and learning a policy for getting the biped to stand up from starting out lying on the ground. In contrast to a body of prior work that uses hand-crafted policy representations, our neural network policies map directly from raw kinematics to joint torques. Our algorithm is fully model-free, and the amount of simulated experience required for the learning tasks on 3D bipeds corresponds to 1-2 weeks of real time.
Intelligent Operation and Maintenance and Prediction Model Optimization for Improving Wind Power Generation Efficiency
This study explores the effectiveness of predictive maintenance models and the optimization of intelligent Operation and Maintenance (O&M) systems in improving wind power generation efficiency. Through qualitative research, structured interviews were conducted with five wind farm engineers and maintenance managers, each with extensive experience in turbine operations. Using thematic analysis, the study revealed that while predictive maintenance models effectively reduce downtime by identifying major faults, they often struggle with detecting smaller, gradual failures. Key challenges identified include false positives, sensor malfunctions, and difficulties in integrating new models with older turbine systems. Advanced technologies such as digital twins, SCADA systems, and condition monitoring have significantly enhanced turbine maintenance practices. However, these technologies still require improvements, particularly in AI refinement and real-time data integration. The findings emphasize the need for continuous development to fully optimize wind turbine performance and support the broader adoption of renewable energy.
Prompt-Driven LLM Safeguarding via Directed Representation Optimization
Prepending model inputs with safety prompts is a common practice of safeguarding large language models (LLMs) from complying with queries that contain harmful intents. However, the working mechanisms of safety prompts have not yet been fully understood, which hinders the potential for automatically optimizing them for improved LLM safety. Motivated by this problem, we investigate the impact of safety prompts from the perspective of model representations. We find that in models' representation space, harmful and harmless queries can be largely distinguished, but this is not noticeably enhanced by safety prompts. Instead, the queries' representations are moved by different safety prompts in similar directions, where models become more prone to refusal (i.e., refusing to provide assistance) even when the queries are harmless. Inspired by these findings, we propose a method called DRO (Directed Representation Optimization) for automatic safety prompt optimization. DRO treats safety prompts as continuous, trainable embeddings and learns to move the representations of harmful/harmless queries along/opposite the direction in which the model's refusal probability increases. We demonstrate that DRO remarkably improves the safeguarding performance of human-crafted safety prompts and outperforms strong baselines, as evaluated on out-of-domain benchmarks, without compromising the general model capability.
Simultaneous q-Space Sampling Optimization and Reconstruction for Fast and High-fidelity Diffusion Magnetic Resonance Imaging
Diffusion Magnetic Resonance Imaging (dMRI) plays a crucial role in the noninvasive investigation of tissue microstructural properties and structural connectivity in the in vivo human brain. However, to effectively capture the intricate characteristics of water diffusion at various directions and scales, it is important to employ comprehensive q-space sampling. Unfortunately, this requirement leads to long scan times, limiting the clinical applicability of dMRI. To address this challenge, we propose SSOR, a Simultaneous q-Space sampling Optimization and Reconstruction framework. We jointly optimize a subset of q-space samples using a continuous representation of spherical harmonic functions and a reconstruction network. Additionally, we integrate the unique properties of diffusion magnetic resonance imaging (dMRI) in both the q-space and image domains by applying l1-norm and total-variation regularization. The experiments conducted on HCP data demonstrate that SSOR has promising strengths both quantitatively and qualitatively and exhibits robustness to noise.
Growing Efficient Deep Networks by Structured Continuous Sparsification
We develop an approach to growing deep network architectures over the course of training, driven by a principled combination of accuracy and sparsity objectives. Unlike existing pruning or architecture search techniques that operate on full-sized models or supernet architectures, our method can start from a small, simple seed architecture and dynamically grow and prune both layers and filters. By combining a continuous relaxation of discrete network structure optimization with a scheme for sampling sparse subnetworks, we produce compact, pruned networks, while also drastically reducing the computational expense of training. For example, we achieve 49.7% inference FLOPs and 47.4% training FLOPs savings compared to a baseline ResNet-50 on ImageNet, while maintaining 75.2% top-1 accuracy -- all without any dedicated fine-tuning stage. Experiments across CIFAR, ImageNet, PASCAL VOC, and Penn Treebank, with convolutional networks for image classification and semantic segmentation, and recurrent networks for language modeling, demonstrate that we both train faster and produce more efficient networks than competing architecture pruning or search methods.
Towards Fast and Scalable Normal Integration using Continuous Components
Surface normal integration is a fundamental problem in computer vision, dealing with the objective of reconstructing a surface from its corresponding normal map. Existing approaches require an iterative global optimization to jointly estimate the depth of each pixel, which scales poorly to larger normal maps. In this paper, we address this problem by recasting normal integration as the estimation of relative scales of continuous components. By constraining pixels belonging to the same component to jointly vary their scale, we drastically reduce the number of optimization variables. Our framework includes a heuristic to accurately estimate continuous components from the start, a strategy to rebalance optimization terms, and a technique to iteratively merge components to further reduce the size of the problem. Our method achieves state-of-the-art results on the standard normal integration benchmark in as little as a few seconds and achieves one-order-of-magnitude speedup over pixel-level approaches on large-resolution normal maps.
LARGO: Latent Adversarial Reflection through Gradient Optimization for Jailbreaking LLMs
Efficient red-teaming method to uncover vulnerabilities in Large Language Models (LLMs) is crucial. While recent attacks often use LLMs as optimizers, the discrete language space make gradient-based methods struggle. We introduce LARGO (Latent Adversarial Reflection through Gradient Optimization), a novel latent self-reflection attack that reasserts the power of gradient-based optimization for generating fluent jailbreaking prompts. By operating within the LLM's continuous latent space, LARGO first optimizes an adversarial latent vector and then recursively call the same LLM to decode the latent into natural language. This methodology yields a fast, effective, and transferable attack that produces fluent and stealthy prompts. On standard benchmarks like AdvBench and JailbreakBench, LARGO surpasses leading jailbreaking techniques, including AutoDAN, by 44 points in attack success rate. Our findings demonstrate a potent alternative to agentic LLM prompting, highlighting the efficacy of interpreting and attacking LLM internals through gradient optimization.
Continuous, Subject-Specific Attribute Control in T2I Models by Identifying Semantic Directions
Recent advances in text-to-image (T2I) diffusion models have significantly improved the quality of generated images. However, providing efficient control over individual subjects, particularly the attributes characterizing them, remains a key challenge. While existing methods have introduced mechanisms to modulate attribute expression, they typically provide either detailed, object-specific localization of such a modification or full-scale fine-grained, nuanced control of attributes. No current approach offers both simultaneously, resulting in a gap when trying to achieve precise continuous and subject-specific attribute modulation in image generation. In this work, we demonstrate that token-level directions exist within commonly used CLIP text embeddings that enable fine-grained, subject-specific control of high-level attributes in T2I models. We introduce two methods to identify these directions: a simple, optimization-free technique and a learning-based approach that utilizes the T2I model to characterize semantic concepts more specifically. Our methods allow the augmentation of the prompt text input, enabling fine-grained control over multiple attributes of individual subjects simultaneously, without requiring any modifications to the diffusion model itself. This approach offers a unified solution that fills the gap between global and localized control, providing competitive flexibility and precision in text-guided image generation. Project page: https://compvis.github.io/attribute-control. Code is available at https://github.com/CompVis/attribute-control.
SE-Agent: Self-Evolution Trajectory Optimization in Multi-Step Reasoning with LLM-Based Agents
Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process, i.e., agents' interaction trajectory leading to task completion, remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively. Our approach revisits and enhances former pilot trajectories through three key operations: revision, recombination, and refinement. This evolutionary mechanism enables two critical advantages: (1) it expands the search space beyond local optima by intelligently exploring diverse solution paths guided by previous trajectories, and (2) it leverages cross-trajectory inspiration to efficiently enhance performance while mitigating the impact of suboptimal reasoning paths. Through these mechanisms, SE-Agent achieves continuous self-evolution that incrementally improves reasoning quality. We evaluate SE-Agent on SWE-bench Verified to resolve real-world GitHub issues. Experimental results across five strong LLMs show that integrating SE-Agent delivers up to 55% relative improvement, achieving state-of-the-art performance among all open-source agents on SWE-bench Verified. Our code and demonstration materials are publicly available at https://github.com/JARVIS-Xs/SE-Agent.
CAST: Continuous and Differentiable Semi-Structured Sparsity-Aware Training for Large Language Models
Sparsity-aware training is an effective approach for transforming large language models (LLMs) into hardware-friendly sparse patterns, thereby reducing latency and memory consumption during inference. In this paper, we propose Continuous Adaptive Sparse Trainer (CAST), a fully continuous and differentiable sparsity-aware training framework for semi-structured (or "N:M") sparse models. Unlike previous approaches that optimize sparsity patterns and weights separately, CAST enables seamless joint optimization during training, while progressively transforming the model into the desired sparsity format. Specifically, CAST introduces three key components: 1) AdamS, a sparsity-aware optimizer that leverages adaptive L1 decay to promote uniform sparsification across all parameters; 2) Weight Scaling, a module designed to mitigate the magnitude reduction caused by decay while preserving desired sparsity patterns; 3) Knowledge Distillation, which employs the dense model as a self-teacher to enhance training efficiency. We evaluate CAST under 2:4 sparsity patterns across multiple model families, ranging from 125M to 13B parameters. Our results demonstrate significant improvements over previous state-of-the-art methods in both perplexity and zero-shot accuracy with minimal training resources. Notably, on LLaMA2-7B, our 2:4 sparse model achieves a negligible perplexity increase of 0.09 and a 0.36% gain in zero-shot accuracy compared to the dense model using only 2% of the original pretraining tokens. Additionally, we establish an accurate and robust empirical scaling law to predict sparse model performance given adequate training resources. Finally, we demonstrate the practical applicability of our sparse models by evaluating them under quantization and fine-tuning scenarios.
eKalibr-Inertial: Continuous-Time Spatiotemporal Calibration for Event-Based Visual-Inertial Systems
The bioinspired event camera, distinguished by its exceptional temporal resolution, high dynamic range, and low power consumption, has been extensively studied in recent years for motion estimation, robotic perception, and object detection. In ego-motion estimation, the visual-inertial setup is commonly adopted due to complementary characteristics between sensors (e.g., scale perception and low drift). For optimal event-based visual-inertial fusion, accurate spatiotemporal (extrinsic and temporal) calibration is required. In this work, we present eKalibr-Inertial, an accurate spatiotemporal calibrator for event-based visual-inertial systems, utilizing the widely used circle grid board. Building upon the grid pattern recognition and tracking methods in eKalibr and eKalibr-Stereo, the proposed method starts with a rigorous and efficient initialization, where all parameters in the estimator would be accurately recovered. Subsequently, a continuous-time-based batch optimization is conducted to refine the initialized parameters toward better states. The results of extensive real-world experiments show that eKalibr-Inertial can achieve accurate event-based visual-inertial spatiotemporal calibration. The implementation of eKalibr-Inertial is open-sourced at (https://github.com/Unsigned-Long/eKalibr) to benefit the research community.
Inference-time Alignment in Continuous Space
Aligning large language models with human feedback at inference time has received increasing attention due to its flexibility. Existing methods rely on generating multiple responses from the base policy for search using a reward model, which can be considered as searching in a discrete response space. However, these methods struggle to explore informative candidates when the base policy is weak or the candidate set is small, resulting in limited effectiveness. In this paper, to address this problem, we propose Simple Energy Adaptation (SEA), a simple yet effective algorithm for inference-time alignment. In contrast to expensive search over the discrete space, SEA directly adapts original responses from the base policy toward the optimal one via gradient-based sampling in continuous latent space. Specifically, SEA formulates inference as an iterative optimization procedure on an energy function over actions in the continuous space defined by the optimal policy, enabling simple and effective alignment. For instance, despite its simplicity, SEA outperforms the second-best baseline with a relative improvement of up to 77.51% on AdvBench and 16.36% on MATH. Our code is publicly available at https://github.com/yuanyige/sea
CAMEL: Continuous Action Masking Enabled by Large Language Models for Reinforcement Learning
Reinforcement learning (RL) in continuous action spaces encounters persistent challenges, such as inefficient exploration and convergence to suboptimal solutions. To address these limitations, we propose CAMEL, a novel framework integrating LLM-generated suboptimal policies into the RL training pipeline. CAMEL leverages dynamic action masking and an adaptive epsilon-masking mechanism to guide exploration during early training stages while gradually enabling agents to optimize policies independently. At the core of CAMEL lies the integration of Python-executable suboptimal policies generated by LLMs based on environment descriptions and task objectives. Although simplistic and hard-coded, these policies offer valuable initial guidance for RL agents. To effectively utilize these priors, CAMEL employs masking-aware optimization to dynamically constrain the action space based on LLM outputs. Additionally, epsilon-masking gradually reduces reliance on LLM-generated guidance, enabling agents to transition from constrained exploration to autonomous policy refinement. Experimental validation on Gymnasium MuJoCo environments demonstrates the effectiveness of CAMEL. In Hopper-v4 and Ant-v4, LLM-generated policies significantly improve sample efficiency, achieving performance comparable to or surpassing expert masking baselines. For Walker2d-v4, where LLMs struggle to accurately model bipedal gait dynamics, CAMEL maintains robust RL performance without notable degradation, highlighting the framework's adaptability across diverse tasks. While CAMEL shows promise in enhancing sample efficiency and mitigating convergence challenges, these issues remain open for further research. Future work aims to generalize CAMEL to multimodal LLMs for broader observation-action spaces and automate policy evaluation, reducing human intervention and enhancing scalability in RL training pipelines.
Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design
Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.
S-STE: Continuous Pruning Function for Efficient 2:4 Sparse Pre-training
Training deep neural networks (DNNs) is costly. Fortunately, Nvidia Ampere and Hopper GPUs can accelerate matrix multiplications twice as fast as a dense equivalent by implementing 2:4 sparsity. However, previous STE-based 2:4 pre-training methods (e.g. STE with hard-thresholding, SR-STE) suffer from optimization difficulties because of discontinuous pruning function. In this study, we comprehensively analyse the bottleneck of traditional N:M sparse training and recognize three drawbacks with discontinuity: incorrect descending direction, inability to predict the amount of descent and sparse mask oscillation. In light of this, we propose S-STE, a simple yet powerful 2:4 training method that contains two parts: to continuously project weights to be 2:4 sparse, and to rescale sparse weights with a per-tensor fixed scaling factor. Besides, we adopt minimum-variance unbiased estimation for activation gradient and FP8 quantization for whole process. Results show that our method surpasses previous 2:4 pre-training recipes and is comparable even with full parameter models. Our toolkit is available at https://github.com/huyz2023/2by4-pretrain.
Unlocking Adversarial Suffix Optimization Without Affirmative Phrases: Efficient Black-box Jailbreaking via LLM as Optimizer
Despite prior safety alignment efforts, mainstream LLMs can still generate harmful and unethical content when subjected to jailbreaking attacks. Existing jailbreaking methods fall into two main categories: template-based and optimization-based methods. The former requires significant manual effort and domain knowledge, while the latter, exemplified by Greedy Coordinate Gradient (GCG), which seeks to maximize the likelihood of harmful LLM outputs through token-level optimization, also encounters several limitations: requiring white-box access, necessitating pre-constructed affirmative phrase, and suffering from low efficiency. In this paper, we present ECLIPSE, a novel and efficient black-box jailbreaking method utilizing optimizable suffixes. Drawing inspiration from LLMs' powerful generation and optimization capabilities, we employ task prompts to translate jailbreaking goals into natural language instructions. This guides the LLM to generate adversarial suffixes for malicious queries. In particular, a harmfulness scorer provides continuous feedback, enabling LLM self-reflection and iterative optimization to autonomously and efficiently produce effective suffixes. Experimental results demonstrate that ECLIPSE achieves an average attack success rate (ASR) of 0.92 across three open-source LLMs and GPT-3.5-Turbo, significantly surpassing GCG in 2.4 times. Moreover, ECLIPSE is on par with template-based methods in ASR while offering superior attack efficiency, reducing the average attack overhead by 83%.
Combinatorial Optimization with Policy Adaptation using Latent Space Search
Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.
GO-SLAM: Global Optimization for Consistent 3D Instant Reconstruction
Neural implicit representations have recently demonstrated compelling results on dense Simultaneous Localization And Mapping (SLAM) but suffer from the accumulation of errors in camera tracking and distortion in the reconstruction. Purposely, we present GO-SLAM, a deep-learning-based dense visual SLAM framework globally optimizing poses and 3D reconstruction in real-time. Robust pose estimation is at its core, supported by efficient loop closing and online full bundle adjustment, which optimize per frame by utilizing the learned global geometry of the complete history of input frames. Simultaneously, we update the implicit and continuous surface representation on-the-fly to ensure global consistency of 3D reconstruction. Results on various synthetic and real-world datasets demonstrate that GO-SLAM outperforms state-of-the-art approaches at tracking robustness and reconstruction accuracy. Furthermore, GO-SLAM is versatile and can run with monocular, stereo, and RGB-D input.
DULA and DEBA: Differentiable Ergonomic Risk Models for Postural Assessment and Optimization in Ergonomically Intelligent pHRI
Ergonomics and human comfort are essential concerns in physical human-robot interaction applications. Defining an accurate and easy-to-use ergonomic assessment model stands as an important step in providing feedback for postural correction to improve operator health and comfort. Common practical methods in the area suffer from inaccurate ergonomics models in performing postural optimization. In order to retain assessment quality, while improving computational considerations, we propose a novel framework for postural assessment and optimization for ergonomically intelligent physical human-robot interaction. We introduce DULA and DEBA, differentiable and continuous ergonomics models learned to replicate the popular and scientifically validated RULA and REBA assessments with more than 99% accuracy. We show that DULA and DEBA provide assessment comparable to RULA and REBA while providing computational benefits when being used in postural optimization. We evaluate our framework through human and simulation experiments. We highlight DULA and DEBA's strength in a demonstration of postural optimization for a simulated pHRI task.
Continuous Visual Autoregressive Generation via Score Maximization
Conventional wisdom suggests that autoregressive models are used to process discrete data. When applied to continuous modalities such as visual data, Visual AutoRegressive modeling (VAR) typically resorts to quantization-based approaches to cast the data into a discrete space, which can introduce significant information loss. To tackle this issue, we introduce a Continuous VAR framework that enables direct visual autoregressive generation without vector quantization. The underlying theoretical foundation is strictly proper scoring rules, which provide powerful statistical tools capable of evaluating how well a generative model approximates the true distribution. Within this framework, all we need is to select a strictly proper score and set it as the training objective to optimize. We primarily explore a class of training objectives based on the energy score, which is likelihood-free and thus overcomes the difficulty of making probabilistic predictions in the continuous space. Previous efforts on continuous autoregressive generation, such as GIVT and diffusion loss, can also be derived from our framework using other strictly proper scores. Source code: https://github.com/shaochenze/EAR.
Reparameterized Policy Learning for Multimodal Trajectory Optimization
We investigate the challenge of parametrizing policies for reinforcement learning (RL) in high-dimensional continuous action spaces. Our objective is to develop a multimodal policy that overcomes limitations inherent in the commonly-used Gaussian parameterization. To achieve this, we propose a principled framework that models the continuous RL policy as a generative model of optimal trajectories. By conditioning the policy on a latent variable, we derive a novel variational bound as the optimization objective, which promotes exploration of the environment. We then present a practical model-based RL method, called Reparameterized Policy Gradient (RPG), which leverages the multimodal policy parameterization and learned world model to achieve strong exploration capabilities and high data efficiency. Empirical results demonstrate that our method can help agents evade local optima in tasks with dense rewards and solve challenging sparse-reward environments by incorporating an object-centric intrinsic reward. Our method consistently outperforms previous approaches across a range of tasks. Code and supplementary materials are available on the project page https://haosulab.github.io/RPG/
Hard Prompts Made Easy: Gradient-Based Discrete Optimization for Prompt Tuning and Discovery
The strength of modern generative models lies in their ability to be controlled through text-based prompts. Typical "hard" prompts are made from interpretable words and tokens, and must be hand-crafted by humans. There are also "soft" prompts, which consist of continuous feature vectors. These can be discovered using powerful optimization methods, but they cannot be easily interpreted, re-used across models, or plugged into a text-based interface. We describe an approach to robustly optimize hard text prompts through efficient gradient-based optimization. Our approach automatically generates hard text-based prompts for both text-to-image and text-to-text applications. In the text-to-image setting, the method creates hard prompts for diffusion models, allowing API users to easily generate, discover, and mix and match image concepts without prior knowledge on how to prompt the model. In the text-to-text setting, we show that hard prompts can be automatically discovered that are effective in tuning LMs for classification.
Decentralized Policy Optimization
The study of decentralized learning or independent learning in cooperative multi-agent reinforcement learning has a history of decades. Recently empirical studies show that independent PPO (IPPO) can obtain good performance, close to or even better than the methods of centralized training with decentralized execution, in several benchmarks. However, decentralized actor-critic with convergence guarantee is still open. In this paper, we propose decentralized policy optimization (DPO), a decentralized actor-critic algorithm with monotonic improvement and convergence guarantee. We derive a novel decentralized surrogate for policy optimization such that the monotonic improvement of joint policy can be guaranteed by each agent independently optimizing the surrogate. In practice, this decentralized surrogate can be realized by two adaptive coefficients for policy optimization at each agent. Empirically, we compare DPO with IPPO in a variety of cooperative multi-agent tasks, covering discrete and continuous action spaces, and fully and partially observable environments. The results show DPO outperforms IPPO in most tasks, which can be the evidence for our theoretical results.
Synthesis of discrete-continuous quantum circuits with multimodal diffusion models
Efficiently compiling quantum operations remains a major bottleneck in scaling quantum computing. Today's state-of-the-art methods achieve low compilation error by combining search algorithms with gradient-based parameter optimization, but they incur long runtimes and require multiple calls to quantum hardware or expensive classical simulations, making their scaling prohibitive. Recently, machine-learning models have emerged as an alternative, though they are currently restricted to discrete gate sets. Here, we introduce a multimodal denoising diffusion model that simultaneously generates a circuit's structure and its continuous parameters for compiling a target unitary. It leverages two independent diffusion processes, one for discrete gate selection and one for parameter prediction. We benchmark the model over different experiments, analyzing the method's accuracy across varying qubit counts, circuit depths, and proportions of parameterized gates. Finally, by exploiting its rapid circuit generation, we create large datasets of circuits for particular operations and use these to extract valuable heuristics that can help us discover new insights into quantum circuit synthesis.
Optimistic Games for Combinatorial Bayesian Optimization with Application to Protein Design
Bayesian optimization (BO) is a powerful framework to optimize black-box expensive-to-evaluate functions via sequential interactions. In several important problems (e.g. drug discovery, circuit design, neural architecture search, etc.), though, such functions are defined over large combinatorial and unstructured spaces. This makes existing BO algorithms not feasible due to the intractable maximization of the acquisition function over these domains. To address this issue, we propose GameOpt, a novel game-theoretical approach to combinatorial BO. GameOpt establishes a cooperative game between the different optimization variables, and selects points that are game equilibria of an upper confidence bound acquisition function. These are stable configurations from which no variable has an incentive to deviate- analog to local optima in continuous domains. Crucially, this allows us to efficiently break down the complexity of the combinatorial domain into individual decision sets, making GameOpt scalable to large combinatorial spaces. We demonstrate the application of GameOpt to the challenging protein design problem and validate its performance on four real-world protein datasets. Each protein can take up to 20^{X} possible configurations, where X is the length of a protein, making standard BO methods infeasible. Instead, our approach iteratively selects informative protein configurations and very quickly discovers highly active protein variants compared to other baselines.
Aligning Diffusion Behaviors with Q-functions for Efficient Continuous Control
Drawing upon recent advances in language model alignment, we formulate offline Reinforcement Learning as a two-stage optimization problem: First pretraining expressive generative policies on reward-free behavior datasets, then fine-tuning these policies to align with task-specific annotations like Q-values. This strategy allows us to leverage abundant and diverse behavior data to enhance generalization and enable rapid adaptation to downstream tasks using minimal annotations. In particular, we introduce Efficient Diffusion Alignment (EDA) for solving continuous control problems. EDA utilizes diffusion models for behavior modeling. However, unlike previous approaches, we represent diffusion policies as the derivative of a scalar neural network with respect to action inputs. This representation is critical because it enables direct density calculation for diffusion models, making them compatible with existing LLM alignment theories. During policy fine-tuning, we extend preference-based alignment methods like Direct Preference Optimization (DPO) to align diffusion behaviors with continuous Q-functions. Our evaluation on the D4RL benchmark shows that EDA exceeds all baseline methods in overall performance. Notably, EDA maintains about 95\% of performance and still outperforms several baselines given only 1\% of Q-labelled data during fine-tuning.
L$^{2}$NAS: Learning to Optimize Neural Architectures via Continuous-Action Reinforcement Learning
Neural architecture search (NAS) has achieved remarkable results in deep neural network design. Differentiable architecture search converts the search over discrete architectures into a hyperparameter optimization problem which can be solved by gradient descent. However, questions have been raised regarding the effectiveness and generalizability of gradient methods for solving non-convex architecture hyperparameter optimization problems. In this paper, we propose L^{2}NAS, which learns to intelligently optimize and update architecture hyperparameters via an actor neural network based on the distribution of high-performing architectures in the search history. We introduce a quantile-driven training procedure which efficiently trains L^{2}NAS in an actor-critic framework via continuous-action reinforcement learning. Experiments show that L^{2}NAS achieves state-of-the-art results on NAS-Bench-201 benchmark as well as DARTS search space and Once-for-All MobileNetV3 search space. We also show that search policies generated by L^{2}NAS are generalizable and transferable across different training datasets with minimal fine-tuning.
Stein Latent Optimization for Generative Adversarial Networks
Generative adversarial networks (GANs) with clustered latent spaces can perform conditional generation in a completely unsupervised manner. In the real world, the salient attributes of unlabeled data can be imbalanced. However, most of existing unsupervised conditional GANs cannot cluster attributes of these data in their latent spaces properly because they assume uniform distributions of the attributes. To address this problem, we theoretically derive Stein latent optimization that provides reparameterizable gradient estimations of the latent distribution parameters assuming a Gaussian mixture prior in a continuous latent space. Structurally, we introduce an encoder network and novel unsupervised conditional contrastive loss to ensure that data generated from a single mixture component represent a single attribute. We confirm that the proposed method, named Stein Latent Optimization for GANs (SLOGAN), successfully learns balanced or imbalanced attributes and achieves state-of-the-art unsupervised conditional generation performance even in the absence of attribute information (e.g., the imbalance ratio). Moreover, we demonstrate that the attributes to be learned can be manipulated using a small amount of probe data.
D-CODE: Data Colony Optimization for Dynamic Network Efficiency
The paper introduces D-CODE, a new framework blending Data Colony Optimization (DCO) algorithms inspired by biological colonies' collective behaviours with Dynamic Efficiency (DE) models for real-time adaptation. DCO utilizes metaheuristic strategies from ant colonies, bee swarms, and fungal networks to efficiently explore complex data landscapes, while DE enables continuous resource recalibration and process adjustments for optimal performance amidst changing conditions. Through a mixed-methods approach involving simulations and case studies, D-CODE outperforms traditional techniques, showing improvements of 3-4% in solution quality, 2-3 times faster convergence rates, and up to 25% higher computational efficiency. The integration of DCO's robust optimization and DE's dynamic responsiveness positions D-CODE as a transformative paradigm for intelligent systems design, with potential applications in operational efficiency, decision support, and computational intelligence, supported by empirical validation and promising outcomes.
Frequency Autoregressive Image Generation with Continuous Tokens
Autoregressive (AR) models for image generation typically adopt a two-stage paradigm of vector quantization and raster-scan ``next-token prediction", inspired by its great success in language modeling. However, due to the huge modality gap, image autoregressive models may require a systematic reevaluation from two perspectives: tokenizer format and regression direction. In this paper, we introduce the frequency progressive autoregressive (FAR) paradigm and instantiate FAR with the continuous tokenizer. Specifically, we identify spectral dependency as the desirable regression direction for FAR, wherein higher-frequency components build upon the lower one to progressively construct a complete image. This design seamlessly fits the causality requirement for autoregressive models and preserves the unique spatial locality of image data. Besides, we delve into the integration of FAR and the continuous tokenizer, introducing a series of techniques to address optimization challenges and improve the efficiency of training and inference processes. We demonstrate the efficacy of FAR through comprehensive experiments on the ImageNet dataset and verify its potential on text-to-image generation.
Robust Model-Based Optimization for Challenging Fitness Landscapes
Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.
Gradient-Normalized Smoothness for Optimization with Approximate Hessians
In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.
Neural Control System for Continuous Glucose Monitoring and Maintenance
Precise glucose level monitoring is critical for people with diabetes to avoid serious complications. While there are several methods for continuous glucose level monitoring, research on maintenance devices is limited. To mitigate the gap, we provide a novel neural control system for continuous glucose monitoring and management that uses differential predictive control. Our approach, led by a sophisticated neural policy and differentiable modeling, constantly adjusts insulin supply in real-time, thereby improving glucose level optimization in the body. This end-to-end method maximizes efficiency, providing personalized care and improved health outcomes, as confirmed by empirical evidence.
Mirror Descent Policy Optimization
Mirror descent (MD), a well-known first-order method in constrained convex optimization, has recently been shown as an important tool to analyze trust-region algorithms in reinforcement learning (RL). However, there remains a considerable gap between such theoretically analyzed algorithms and the ones used in practice. Inspired by this, we propose an efficient RL algorithm, called {\em mirror descent policy optimization} (MDPO). MDPO iteratively updates the policy by {\em approximately} solving a trust-region problem, whose objective function consists of two terms: a linearization of the standard RL objective and a proximity term that restricts two consecutive policies to be close to each other. Each update performs this approximation by taking multiple gradient steps on this objective function. We derive {\em on-policy} and {\em off-policy} variants of MDPO, while emphasizing important design choices motivated by the existing theory of MD in RL. We highlight the connections between on-policy MDPO and two popular trust-region RL algorithms: TRPO and PPO, and show that explicitly enforcing the trust-region constraint is in fact {\em not} a necessity for high performance gains in TRPO. We then show how the popular soft actor-critic (SAC) algorithm can be derived by slight modifications of off-policy MDPO. Overall, MDPO is derived from the MD principles, offers a unified approach to viewing a number of popular RL algorithms, and performs better than or on-par with TRPO, PPO, and SAC in a number of continuous control tasks. Code is available at https://github.com/manantomar/Mirror-Descent-Policy-Optimization.
On the saddle point problem for non-convex optimization
A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such minimizations, and it is often thought that a main source of difficulty for the ability of these local methods to find the global minimum is the proliferation of local minima with much higher error than the global minimum. Here we argue, based on results from statistical physics, random matrix theory, and neural network theory, that a deeper and more profound difficulty originates from the proliferation of saddle points, not local minima, especially in high dimensional problems of practical interest. Such saddle points are surrounded by high error plateaus that can dramatically slow down learning, and give the illusory impression of the existence of a local minimum. Motivated by these arguments, we propose a new algorithm, the saddle-free Newton method, that can rapidly escape high dimensional saddle points, unlike gradient descent and quasi-Newton methods. We apply this algorithm to deep neural network training, and provide preliminary numerical evidence for its superior performance.
Fine-tuning Quantized Neural Networks with Zeroth-order Optimization
As the size of large language models grows exponentially, GPU memory has become a bottleneck for adapting these models to downstream tasks. In this paper, we aim to push the limits of memory-efficient training by minimizing memory usage on model weights, gradients, and optimizer states, within a unified framework. Our idea is to eliminate both gradients and optimizer states using zeroth-order optimization, which approximates gradients by perturbing weights during forward passes to identify gradient directions. To minimize memory usage on weights, we employ model quantization, e.g., converting from bfloat16 to int4. However, directly applying zeroth-order optimization to quantized weights is infeasible due to the precision gap between discrete weights and continuous gradients, which would otherwise require de-quantization and re-quantization. To overcome this challenge, we propose Quantized Zeroth-order Optimization (QZO), a novel approach that perturbs the continuous quantization scale for gradient estimation and uses a directional derivative clipping method to stabilize training. QZO is orthogonal to both scalar-based and codebook-based post-training quantization methods. Compared to full-parameter fine-tuning in bfloat16, QZO can reduce the total memory cost by more than 18times for 4-bit LLMs, and enables fine-tuning Llama-2-13B and Stable Diffusion 3.5 Large within a single 24GB GPU.
TD-MPC2: Scalable, Robust World Models for Continuous Control
TD-MPC is a model-based reinforcement learning (RL) algorithm that performs local trajectory optimization in the latent space of a learned implicit (decoder-free) world model. In this work, we present TD-MPC2: a series of improvements upon the TD-MPC algorithm. We demonstrate that TD-MPC2 improves significantly over baselines across 104 online RL tasks spanning 4 diverse task domains, achieving consistently strong results with a single set of hyperparameters. We further show that agent capabilities increase with model and data size, and successfully train a single 317M parameter agent to perform 80 tasks across multiple task domains, embodiments, and action spaces. We conclude with an account of lessons, opportunities, and risks associated with large TD-MPC2 agents. Explore videos, models, data, code, and more at https://nicklashansen.github.io/td-mpc2
High-Fidelity SLAM Using Gaussian Splatting with Rendering-Guided Densification and Regularized Optimization
We propose a dense RGBD SLAM system based on 3D Gaussian Splatting that provides metrically accurate pose tracking and visually realistic reconstruction. To this end, we first propose a Gaussian densification strategy based on the rendering loss to map unobserved areas and refine reobserved areas. Second, we introduce extra regularization parameters to alleviate the forgetting problem in the continuous mapping problem, where parameters tend to overfit the latest frame and result in decreasing rendering quality for previous frames. Both mapping and tracking are performed with Gaussian parameters by minimizing re-rendering loss in a differentiable way. Compared to recent neural and concurrently developed gaussian splatting RGBD SLAM baselines, our method achieves state-of-the-art results on the synthetic dataset Replica and competitive results on the real-world dataset TUM.
ScoreFlow: Mastering LLM Agent Workflows via Score-based Preference Optimization
Recent research has leveraged large language model multi-agent systems for complex problem-solving while trying to reduce the manual effort required to build them, driving the development of automated agent workflow optimization methods. However, existing methods remain inflexible due to representational limitations, a lack of adaptability, and poor scalability when relying on discrete optimization techniques. We address these challenges with ScoreFlow, a simple yet high-performance framework that leverages efficient gradient-based optimization in a continuous space. ScoreFlow incorporates Score-DPO, a novel variant of the direct preference optimization method that accounts for quantitative feedback. Across six benchmarks spanning question answering, coding, and mathematical reasoning, ScoreFlow achieves an 8.2% improvement over existing baselines. Moreover, it empowers smaller models to outperform larger ones with lower inference costs. Project: https://github.com/Gen-Verse/ScoreFlow
Tiny QA Benchmark++: Ultra-Lightweight, Synthetic Multilingual Dataset Generation & Smoke-Tests for Continuous LLM Evaluation
Tiny QA Benchmark++ (TQB++) presents an ultra-lightweight, multilingual smoke-test suite designed to give large-language-model (LLM) pipelines a unit-test style safety net dataset that runs in seconds with minimal cost. Born out of the tight feedback-loop demands building the Comet Opik prompt-optimization SDK, where waiting on heavyweight benchmarks breaks developer flow. TQB++ couples a 52-item English gold set (less than 20 kB) with a tiny synthetic-data generator pypi package built on provider-agnostic LiteLLM. The generator lets practitioners mint their own tiny packs in any language, domain, or difficulty, while ten ready-made packs already cover Arabic, Chinese, French, German, Japanese, Korean, Portuguese, Russian, Spanish, and Turkish. Every dataset ships with Croissant metadata and plug-and-play files for OpenAI-Evals, LangChain, and standard CI tools, so teams can drop deterministic micro-benchmarks directly into pull-request gates, prompt-engineering loops, and production dashboards without touching GPU budgets. A complete TQB++ run adds only a few seconds to pipeline latency yet reliably flags prompt-template errors, tokenizer drift, and fine-tuning side-effects long before full-scale suites like MMLU or BIG-Bench would finish configuring. The entire framework is released to accelerate continuous, resource-efficient quality assurance across the generative-AI ecosystem.
Margin Adaptive DPO: Leveraging Reward Model for Granular Control in Preference Optimization
Direct Preference Optimization (DPO) has emerged as a simple and effective method for aligning large language models. However, its reliance on a fixed temperature parameter leads to suboptimal training on diverse preference data, causing overfitting on easy examples and under-learning from informative ones. Recent methods have emerged to counter this. While IPO addresses general overfitting, its uniform regularization can be overly conservative. The more targeted approach of beta-DPO suffers from its own limitations: its batch-level adaptation applies a single, compromised temperature to mixed-margin pairs, its linear update rule can produce unstable negative beta values, and its filtering mechanism discards potentially useful training signals. In this work, we introduce Margin-Adaptive Direct Preference Optimization (MADPO), a method that provides a stable, data-preserving, and instance-level solution. MADPO employs a practical two-step approach: it first trains a reward model to estimate preference margins and then uses these margins to apply a continuous, adaptive weight to the DPO loss for each individual training sample. This re-weighting scheme creates an effective target margin that is amplified for hard pairs and dampened for easy pairs, allowing for granular control over the learning signal. We provide a comprehensive theoretical analysis, proving that MADPO has a well-behaved optimization landscape and is robust to reward model estimation errors. We validate our theory with experiments on a sentiment generation task, where MADPO consistently and significantly outperforms strong baselines across datasets of varying quality. It achieves performance gains of up to +33.3\% on High Quality data and +10.5\% on Low Quality data over the next-best method. Our results establish MADPO as a more robust and principled approach to preference alignment.
A Study of Bayesian Neural Network Surrogates for Bayesian Optimization
Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.
The Phong Surface: Efficient 3D Model Fitting using Lifted Optimization
Realtime perceptual and interaction capabilities in mixed reality require a range of 3D tracking problems to be solved at low latency on resource-constrained hardware such as head-mounted devices. Indeed, for devices such as HoloLens 2 where the CPU and GPU are left available for applications, multiple tracking subsystems are required to run on a continuous, real-time basis while sharing a single Digital Signal Processor. To solve model-fitting problems for HoloLens 2 hand tracking, where the computational budget is approximately 100 times smaller than an iPhone 7, we introduce a new surface model: the `Phong surface'. Using ideas from computer graphics, the Phong surface describes the same 3D shape as a triangulated mesh model, but with continuous surface normals which enable the use of lifting-based optimization, providing significant efficiency gains over ICP-based methods. We show that Phong surfaces retain the convergence benefits of smoother surface models, while triangle meshes do not.
X$^{2}$-Gaussian: 4D Radiative Gaussian Splatting for Continuous-time Tomographic Reconstruction
Four-dimensional computed tomography (4D CT) reconstruction is crucial for capturing dynamic anatomical changes but faces inherent limitations from conventional phase-binning workflows. Current methods discretize temporal resolution into fixed phases with respiratory gating devices, introducing motion misalignment and restricting clinical practicality. In this paper, We propose X^2-Gaussian, a novel framework that enables continuous-time 4D-CT reconstruction by integrating dynamic radiative Gaussian splatting with self-supervised respiratory motion learning. Our approach models anatomical dynamics through a spatiotemporal encoder-decoder architecture that predicts time-varying Gaussian deformations, eliminating phase discretization. To remove dependency on external gating devices, we introduce a physiology-driven periodic consistency loss that learns patient-specific breathing cycles directly from projections via differentiable optimization. Extensive experiments demonstrate state-of-the-art performance, achieving a 9.93 dB PSNR gain over traditional methods and 2.25 dB improvement against prior Gaussian splatting techniques. By unifying continuous motion modeling with hardware-free period learning, X^2-Gaussian advances high-fidelity 4D CT reconstruction for dynamic clinical imaging. Project website at: https://x2-gaussian.github.io/.
Can Compact Language Models Search Like Agents? Distillation-Guided Policy Optimization for Preserving Agentic RAG Capabilities
Reinforcement Learning has emerged as a post-training approach to elicit agentic RAG behaviors such as search and planning from language models. However, compact language models (e.g., 0.5B parameters) struggle due to poor reasoning ability, resulting in sparse rewards and unstable training. To overcome these difficulties, we propose Distillation-Guided Policy Optimization (DGPO), which addresses the challenges through cold-start initialization from teacher demonstrations and continuous teacher guidance during policy optimization. To systematically evaluate our approach, we introduce Agentic RAG Capabilities (ARC), a fine-grained metric analyzing reasoning, search coordination, and response synthesis. Comprehensive experiments demonstrate that DGPO enables compact models to achieve sophisticated agentic search behaviors, even outperforming the larger teacher model in some cases. DGPO makes agentic RAG feasible in computing resource-constrained environments.
SEQ^3: Differentiable Sequence-to-Sequence-to-Sequence Autoencoder for Unsupervised Abstractive Sentence Compression
Neural sequence-to-sequence models are currently the dominant approach in several natural language processing tasks, but require large parallel corpora. We present a sequence-to-sequence-to-sequence autoencoder (SEQ^3), consisting of two chained encoder-decoder pairs, with words used as a sequence of discrete latent variables. We apply the proposed model to unsupervised abstractive sentence compression, where the first and last sequences are the input and reconstructed sentences, respectively, while the middle sequence is the compressed sentence. Constraining the length of the latent word sequences forces the model to distill important information from the input. A pretrained language model, acting as a prior over the latent sequences, encourages the compressed sentences to be human-readable. Continuous relaxations enable us to sample from categorical distributions, allowing gradient-based optimization, unlike alternatives that rely on reinforcement learning. The proposed model does not require parallel text-summary pairs, achieving promising results in unsupervised sentence compression on benchmark datasets.
Tunable Trajectory Planner Using G3 Curves
Trajectory planning is commonly used as part of a local planner in autonomous driving. This paper considers the problem of planning a continuous-curvature-rate trajectory between fixed start and goal states that minimizes a tunable trade-off between passenger comfort and travel time. The problem is an instance of infinite dimensional optimization over two continuous functions: a path, and a velocity profile. We propose a simplification of this problem that facilitates the discretization of both functions. This paper also proposes a method to quickly generate minimal-length paths between start and goal states based on a single tuning parameter: the second derivative of curvature. Furthermore, we discretize the set of velocity profiles along a given path into a selection of acceleration way-points along the path. Gradient-descent is then employed to minimize cost over feasible choices of the second derivative of curvature, and acceleration way-points, resulting in a method that repeatedly solves the path and velocity profiles in an iterative fashion. Numerical examples are provided to illustrate the benefits of the proposed methods.
Fair Densities via Boosting the Sufficient Statistics of Exponential Families
We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.
REBEL: Reinforcement Learning via Regressing Relative Rewards
While originally developed for continuous control problems, Proximal Policy Optimization (PPO) has emerged as the work-horse of a variety of reinforcement learning (RL) applications including the fine-tuning of generative models. Unfortunately, PPO requires multiple heuristics to enable stable convergence (e.g. value networks, clipping) and is notorious for its sensitivity to the precise implementation of these components. In response, we take a step back and ask what a minimalist RL algorithm for the era of generative models would look like. We propose REBEL, an algorithm that cleanly reduces the problem of policy optimization to regressing the relative rewards via a direct policy parameterization between two completions to a prompt, enabling strikingly lightweight implementation. In theory, we prove that fundamental RL algorithms like Natural Policy Gradient can be seen as variants of REBEL, which allows us to match the strongest known theoretical guarantees in terms of convergence and sample complexity in the RL literature. REBEL can also cleanly incorporate offline data and handle the intransitive preferences we frequently see in practice. Empirically, we find that REBEL provides a unified approach to language modeling and image generation with stronger or similar performance as PPO and DPO, all while being simpler to implement and more computationally tractable than PPO.
Flow Matching Policy Gradients
Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm that brings flow matching into the policy gradient framework. FPO casts policy optimization as maximizing an advantage-weighted ratio computed from the conditional flow matching loss, in a manner compatible with the popular PPO-clip framework. It sidesteps the need for exact likelihood computation while preserving the generative capabilities of flow-based models. Unlike prior approaches for diffusion-based reinforcement learning that bind training to a specific sampling method, FPO is agnostic to the choice of diffusion or flow integration at both training and inference time. We show that FPO can train diffusion-style policies from scratch in a variety of continuous control tasks. We find that flow-based models can capture multimodal action distributions and achieve higher performance than Gaussian policies, particularly in under-conditioned settings.
DreamText: High Fidelity Scene Text Synthesis
Scene text synthesis involves rendering specified texts onto arbitrary images. Current methods typically formulate this task in an end-to-end manner but lack effective character-level guidance during training. Besides, their text encoders, pre-trained on a single font type, struggle to adapt to the diverse font styles encountered in practical applications. Consequently, these methods suffer from character distortion, repetition, and absence, particularly in polystylistic scenarios. To this end, this paper proposes DreamText for high-fidelity scene text synthesis. Our key idea is to reconstruct the diffusion training process, introducing more refined guidance tailored to this task, to expose and rectify the model's attention at the character level and strengthen its learning of text regions. This transformation poses a hybrid optimization challenge, involving both discrete and continuous variables. To effectively tackle this challenge, we employ a heuristic alternate optimization strategy. Meanwhile, we jointly train the text encoder and generator to comprehensively learn and utilize the diverse font present in the training dataset. This joint training is seamlessly integrated into the alternate optimization process, fostering a synergistic relationship between learning character embedding and re-estimating character attention. Specifically, in each step, we first encode potential character-generated position information from cross-attention maps into latent character masks. These masks are then utilized to update the representation of specific characters in the current step, which, in turn, enables the generator to correct the character's attention in the subsequent steps. Both qualitative and quantitative results demonstrate the superiority of our method to the state of the art.
Beyond Spatio-Temporal Representations: Evolving Fourier Transform for Temporal Graphs
We present the Evolving Graph Fourier Transform (EFT), the first invertible spectral transform that captures evolving representations on temporal graphs. We motivate our work by the inadequacy of existing methods for capturing the evolving graph spectra, which are also computationally expensive due to the temporal aspect along with the graph vertex domain. We view the problem as an optimization over the Laplacian of the continuous time dynamic graph. Additionally, we propose pseudo-spectrum relaxations that decompose the transformation process, making it highly computationally efficient. The EFT method adeptly captures the evolving graph's structural and positional properties, making it effective for downstream tasks on evolving graphs. Hence, as a reference implementation, we develop a simple neural model induced with EFT for capturing evolving graph spectra. We empirically validate our theoretical findings on a number of large-scale and standard temporal graph benchmarks and demonstrate that our model achieves state-of-the-art performance.
Model-Based Control with Sparse Neural Dynamics
Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.
PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion
Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.
CoT-Space: A Theoretical Framework for Internal Slow-Thinking via Reinforcement Learning
Reinforcement Learning (RL) has become a pivotal approach for enhancing the reasoning capabilities of Large Language Models (LLMs). However, a significant theoretical gap persists, as traditional token-level RL frameworks fail to align with the reasoning-level nature of complex, multi-step thought processes like Chain-of-Thought (CoT). To address this challenge, we introduce CoT-Space, a novel theoretical framework that recasts LLM reasoning from a discrete token-prediction task to an optimization process within a continuous, reasoning-level semantic space. By analyzing this process from both a noise perspective and a risk perspective, we demonstrate that the convergence to an optimal CoT length is a natural consequence of the fundamental trade-off between underfitting and overfitting. Furthermore, extensive experiments provide strong empirical validation for our theoretical findings. Our framework not only provides a coherent explanation for empirical phenomena such as overthinking but also offers a solid theoretical foundation to guide the future development of more effective and generalizable reasoning agents.
Training Noise Token Pruning
In the present work we present Training Noise Token (TNT) Pruning for vision transformers. Our method relaxes the discrete token dropping condition to continuous additive noise, providing smooth optimization in training, while retaining discrete dropping computational gains in deployment settings. We provide theoretical connections to Rate-Distortion literature, and empirical evaluations on the ImageNet dataset using ViT and DeiT architectures demonstrating TNT's advantages over previous pruning methods.
Reinforcement Learning Tuning for VideoLLMs: Reward Design and Data Efficiency
Understanding real-world videos with complex semantics and long temporal dependencies remains a fundamental challenge in computer vision. Recent progress in multimodal large language models (MLLMs) has demonstrated strong capabilities in vision-language tasks, while reinforcement learning tuning (RLT) has further improved their reasoning abilities. In this work, we explore RLT as a post-training strategy to enhance the video-specific reasoning capabilities of MLLMs. Built upon the Group Relative Policy Optimization (GRPO) framework, we propose a dual-reward formulation that supervises both semantic and temporal reasoning through discrete and continuous reward signals. To facilitate effective preference-based optimization, we introduce a variance-aware data selection strategy based on repeated inference to identify samples that provide informative learning signals. We evaluate our approach across eight representative video understanding tasks, including VideoQA, Temporal Video Grounding, and Grounded VideoQA. Our method consistently outperforms supervised fine-tuning and existing RLT baselines, achieving superior performance with significantly less training data. These results underscore the importance of reward design and data selection in advancing reasoning-centric video understanding with MLLMs. Notably, The initial code release (two months ago) has now been expanded with updates, including optimized reward mechanisms and additional datasets. The latest version is available at https://github.com/appletea233/Temporal-R1 .
CharacterShot: Controllable and Consistent 4D Character Animation
In this paper, we propose CharacterShot, a controllable and consistent 4D character animation framework that enables any individual designer to create dynamic 3D characters (i.e., 4D character animation) from a single reference character image and a 2D pose sequence. We begin by pretraining a powerful 2D character animation model based on a cutting-edge DiT-based image-to-video model, which allows for any 2D pose sequnce as controllable signal. We then lift the animation model from 2D to 3D through introducing dual-attention module together with camera prior to generate multi-view videos with spatial-temporal and spatial-view consistency. Finally, we employ a novel neighbor-constrained 4D gaussian splatting optimization on these multi-view videos, resulting in continuous and stable 4D character representations. Moreover, to improve character-centric performance, we construct a large-scale dataset Character4D, containing 13,115 unique characters with diverse appearances and motions, rendered from multiple viewpoints. Extensive experiments on our newly constructed benchmark, CharacterBench, demonstrate that our approach outperforms current state-of-the-art methods. Code, models, and datasets will be publicly available at https://github.com/Jeoyal/CharacterShot.
Tequila: Trapping-free Ternary Quantization for Large Language Models
Quantization techniques are essential for the deployment of Large Language Models (LLMs) on edge devices. However, prevailing methods often rely on mixed-precision multiplication that lacks efficient hardware support, making it not feasible. Ternary weight quantization addresses this by constraining weights to {-1, 0, 1}, replacing expensive multiplications with hardware-efficient additions. However, such aggressive compression leads to significant accuracy degradation, even after costly quantization-aware training with massive data. We identify the core issue as deadzone trapping: a large number of weights are trapped at the deadzone boundary. This occurs because these weights receive only noisy, uninformative gradients, preventing stable escape from the deadzone and severely impeding model capacity and optimization. To address this issue, we propose Tequila, a trapping-free quantization optimization method that reactivates deadzone-trapped weights by repurposing them as dynamic biases. This allows the repurposed weights to provide a continuous signal in the forward pass and, critically, receive direct, meaningful gradient signals during backpropagation, thereby enhancing model capacity and optimization with nearly zero inference overhead. Extensive evaluations demonstrate that Tequila outperforms state-of-the-art (SOTA) ternary quantization methods across five benchmarks. Specifically, on the ARC benchmark, it achieves >4% accuracy gain over the SOTA baseline, nearly matching full-precision performance (within <1% gap) with a 3.0x inference speedup. Consequently, Tequila offers a highly practical and efficient implementation for the deployment of advanced LLMs in resource-constrained environments. The code is available at https://github.com/Tencent/AngelSlim.
OmniQuality-R: Advancing Reward Models Through All-Encompassing Quality Assessment
Current visual evaluation approaches are typically constrained to a single task. To address this, we propose OmniQuality-R, a unified reward modeling framework that transforms multi-task quality reasoning into continuous and interpretable reward signals for policy optimization. Inspired by subjective experiments, where participants are given task-specific instructions outlining distinct assessment principles prior to evaluation, we propose OmniQuality-R, a structured reward modeling framework that transforms multi-dimensional reasoning into continuous and interpretable reward signals. To enable this, we construct a reasoning-enhanced reward modeling dataset by sampling informative plan-reason trajectories via rejection sampling, forming a reliable chain-of-thought (CoT) dataset for supervised fine-tuning (SFT). Building on this, we apply Group Relative Policy Optimization (GRPO) for post-training, using a Gaussian-based reward to support continuous score prediction. To further stabilize the training and improve downstream generalization, we incorporate standard deviation (STD) filtering and entropy gating mechanisms during reinforcement learning. These techniques suppress unstable updates and reduce variance in policy optimization. We evaluate OmniQuality-R on three key IQA tasks: aesthetic quality assessment, technical quality evaluation, and text-image alignment.
Evolving Rewards to Automate Reinforcement Learning
Many continuous control tasks have easily formulated objectives, yet using them directly as a reward in reinforcement learning (RL) leads to suboptimal policies. Therefore, many classical control tasks guide RL training using complex rewards, which require tedious hand-tuning. We automate the reward search with AutoRL, an evolutionary layer over standard RL that treats reward tuning as hyperparameter optimization and trains a population of RL agents to find a reward that maximizes the task objective. AutoRL, evaluated on four Mujoco continuous control tasks over two RL algorithms, shows improvements over baselines, with the the biggest uplift for more complex tasks. The video can be found at: https://youtu.be/svdaOFfQyC8.
DiffoRA: Enabling Parameter-Efficient LLM Fine-Tuning via Differential Low-Rank Matrix Adaptation
The Parameter-Efficient Fine-Tuning (PEFT) methods have been extensively researched for large language models in the downstream tasks. Among all the existing approaches, the Low-Rank Adaptation (LoRA) has gained popularity for its streamlined design by incorporating low-rank matrices into existing pre-trained models. Though effective, LoRA allocates every module an identical low-rank matrix, which ignores the varying properties and contributions across different components. Moreover, the existing adaptive LoRA solutions rely highly on intuitive importance scoring indicators to adjust the interior rank of the decomposition matrices. In this paper, we propose a new PEFT scheme called DiffoRA, which is theoretically grounded and enables module-wise adoption of LoRA. At the core of our DiffoRA lies a Differential Adaptation Matrix (DAM) to determine which module is the most suitable and essential for fine-tuning. We explain how the designed matrix impacts the convergence rate and generalization capability of a pre-trained model. Furthermore, we construct the DAM via continuous relaxation and discretization with weight-sharing optimizations. We fully implement our DiffoRA and design comprehensive experiments to evaluate its performance. The experimental results demonstrate that our approach achieves the best model accuracy over all the state-of-the-art baselines across various benchmarks.
Teaching Metric Distance to Autoregressive Multimodal Foundational Models
As large language models expand beyond natural language to domains such as mathematics, multimodal understanding, and embodied agents, tokens increasingly reflect metric relationships rather than purely linguistic meaning. We introduce DIST2Loss, a distance-aware framework designed to train autoregressive discrete models by leveraging predefined distance relationships among output tokens. At its core, DIST2Loss transforms continuous exponential family distributions derived from inherent distance metrics into discrete, categorical optimization targets compatible with the models' architectures. This approach enables the models to learn and preserve meaningful distance relationships during token generation while maintaining compatibility with existing architectures. Empirical evaluations show consistent performance gains in diverse multimodal applications, including visual grounding, robotic manipulation, generative reward modeling, and image generation using vector-quantized features. These improvements are pronounced in cases of limited training data, highlighting DIST2Loss's effectiveness in resource-constrained settings.
Spectral Architecture Search for Neural Networks
Architecture design and optimization are challenging problems in the field of artificial neural networks. Working in this context, we here present SPARCS (SPectral ARchiteCture Search), a novel architecture search protocol which exploits the spectral attributes of the inter-layer transfer matrices. SPARCS allows one to explore the space of possible architectures by spanning continuous and differentiable manifolds, thus enabling for gradient-based optimization algorithms to be eventually employed. With reference to simple benchmark models, we show that the newly proposed method yields a self-emerging architecture with a minimal degree of expressivity to handle the task under investigation and with a reduced parameter count as compared to other viable alternatives.
Small Temperature is All You Need for Differentiable Architecture Search
Differentiable architecture search (DARTS) yields highly efficient gradient-based neural architecture search (NAS) by relaxing the discrete operation selection to optimize continuous architecture parameters that maps NAS from the discrete optimization to a continuous problem. DARTS then remaps the relaxed supernet back to the discrete space by one-off post-search pruning to obtain the final architecture (finalnet). Some emerging works argue that this remap is inherently prone to mismatch the network between training and evaluation which leads to performance discrepancy and even model collapse in extreme cases. We propose to close the gap between the relaxed supernet in training and the pruned finalnet in evaluation through utilizing small temperature to sparsify the continuous distribution in the training phase. To this end, we first formulate sparse-noisy softmax to get around gradient saturation. We then propose an exponential temperature schedule to better control the outbound distribution and elaborate an entropy-based adaptive scheme to finally achieve the enhancement. We conduct extensive experiments to verify the efficiency and efficacy of our method.
LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery
Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in physical scientific discovery. Conversely, human scientists undertake scientific discovery by formulating hypotheses, conducting experiments, and revising theories through observational analysis. Inspired by this, we propose to enhance the knowledge-driven, abstract reasoning abilities of LLMs with the computational strength of simulations. We introduce Scientific Generative Agent (SGA), a bilevel optimization framework: LLMs act as knowledgeable and versatile thinkers, proposing scientific hypotheses and reason about discrete components, such as physics equations or molecule structures; meanwhile, simulations function as experimental platforms, providing observational feedback and optimizing via differentiability for continuous parts, such as physical parameters. We conduct extensive experiments to demonstrate our framework's efficacy in constitutive law discovery and molecular design, unveiling novel solutions that differ from conventional human expectations yet remain coherent upon analysis.
Understanding and Robustifying Differentiable Architecture Search
Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.
Prompting Visual-Language Models for Efficient Video Understanding
Image-based visual-language (I-VL) pre-training has shown great success for learning joint visual-textual representations from large-scale web data, revealing remarkable ability for zero-shot generalisation. This paper presents a simple but strong baseline to efficiently adapt the pre-trained I-VL model, and exploit its powerful ability for resource-hungry video understanding tasks, with minimal training. Specifically, we propose to optimise a few random vectors, termed as continuous prompt vectors, that convert video-related tasks into the same format as the pre-training objectives. In addition, to bridge the gap between static images and videos, temporal information is encoded with lightweight Transformers stacking on top of frame-wise visual features. Experimentally, we conduct extensive ablation studies to analyse the critical components. On 10 public benchmarks of action recognition, action localisation, and text-video retrieval, across closed-set, few-shot, and zero-shot scenarios, we achieve competitive or state-of-the-art performance to existing methods, despite optimising significantly fewer parameters.
3D Gaussian Splatting for Real-Time Radiance Field Rendering
Radiance Field methods have recently revolutionized novel-view synthesis of scenes captured with multiple photos or videos. However, achieving high visual quality still requires neural networks that are costly to train and render, while recent faster methods inevitably trade off speed for quality. For unbounded and complete scenes (rather than isolated objects) and 1080p resolution rendering, no current method can achieve real-time display rates. We introduce three key elements that allow us to achieve state-of-the-art visual quality while maintaining competitive training times and importantly allow high-quality real-time (>= 30 fps) novel-view synthesis at 1080p resolution. First, starting from sparse points produced during camera calibration, we represent the scene with 3D Gaussians that preserve desirable properties of continuous volumetric radiance fields for scene optimization while avoiding unnecessary computation in empty space; Second, we perform interleaved optimization/density control of the 3D Gaussians, notably optimizing anisotropic covariance to achieve an accurate representation of the scene; Third, we develop a fast visibility-aware rendering algorithm that supports anisotropic splatting and both accelerates training and allows realtime rendering. We demonstrate state-of-the-art visual quality and real-time rendering on several established datasets.
Directly Aligning the Full Diffusion Trajectory with Fine-Grained Human Preference
Recent studies have demonstrated the effectiveness of directly aligning diffusion models with human preferences using differentiable reward. However, they exhibit two primary challenges: (1) they rely on multistep denoising with gradient computation for reward scoring, which is computationally expensive, thus restricting optimization to only a few diffusion steps; (2) they often need continuous offline adaptation of reward models in order to achieve desired aesthetic quality, such as photorealism or precise lighting effects. To address the limitation of multistep denoising, we propose Direct-Align, a method that predefines a noise prior to effectively recover original images from any time steps via interpolation, leveraging the equation that diffusion states are interpolations between noise and target images, which effectively avoids over-optimization in late timesteps. Furthermore, we introduce Semantic Relative Preference Optimization (SRPO), in which rewards are formulated as text-conditioned signals. This approach enables online adjustment of rewards in response to positive and negative prompt augmentation, thereby reducing the reliance on offline reward fine-tuning. By fine-tuning the FLUX.1.dev model with optimized denoising and online reward adjustment, we improve its human-evaluated realism and aesthetic quality by over 3x.
D3PO: Preference-Based Alignment of Discrete Diffusion Models
Diffusion models have achieved state-of-the-art performance across multiple domains, with recent advancements extending their applicability to discrete data. However, aligning discrete diffusion models with task-specific preferences remains challenging, particularly in scenarios where explicit reward functions are unavailable. In this work, we introduce Discrete Diffusion DPO (D3PO), the first adaptation of Direct Preference Optimization (DPO) to discrete diffusion models formulated as continuous-time Markov chains. Our approach derives a novel loss function that directly fine-tunes the generative process using preference data while preserving fidelity to a reference distribution. We validate D3PO on a structured binary sequence generation task, demonstrating that the method effectively aligns model outputs with preferences while maintaining structural validity. Our results highlight that D3PO enables controlled fine-tuning without requiring explicit reward models, making it a practical alternative to reinforcement learning-based approaches. Future research will explore extending D3PO to more complex generative tasks, including language modeling and protein sequence generation, as well as investigating alternative noise schedules, such as uniform noising, to enhance flexibility across different applications.
StepTool: A Step-grained Reinforcement Learning Framework for Tool Learning in LLMs
Despite having powerful reasoning and inference capabilities, Large Language Models (LLMs) still need external tools to acquire real-time information retrieval or domain-specific expertise to solve complex tasks, which is referred to as tool learning. Existing tool learning methods primarily rely on tuning with expert trajectories, focusing on token-sequence learning from a linguistic perspective. However, there are several challenges: 1) imitating static trajectories limits their ability to generalize to new tasks. 2) even expert trajectories can be suboptimal, and better solution paths may exist. In this work, we introduce StepTool, a novel step-grained reinforcement learning framework to improve tool learning in LLMs. It consists of two components: Step-grained Reward Shaping, which assigns rewards at each tool interaction based on tool invocation success and its contribution to the task, and Step-grained Optimization, which uses policy gradient methods to optimize the model in a multi-step manner. Experimental results demonstrate that StepTool significantly outperforms existing methods in multi-step, tool-based tasks, providing a robust solution for complex task environments. Codes are available at https://github.com/yuyq18/StepTool.
End-to-End Rate-Distortion Optimized 3D Gaussian Representation
3D Gaussian Splatting (3DGS) has become an emerging technique with remarkable potential in 3D representation and image rendering. However, the substantial storage overhead of 3DGS significantly impedes its practical applications. In this work, we formulate the compact 3D Gaussian learning as an end-to-end Rate-Distortion Optimization (RDO) problem and propose RDO-Gaussian that can achieve flexible and continuous rate control. RDO-Gaussian addresses two main issues that exist in current schemes: 1) Different from prior endeavors that minimize the rate under the fixed distortion, we introduce dynamic pruning and entropy-constrained vector quantization (ECVQ) that optimize the rate and distortion at the same time. 2) Previous works treat the colors of each Gaussian equally, while we model the colors of different regions and materials with learnable numbers of parameters. We verify our method on both real and synthetic scenes, showcasing that RDO-Gaussian greatly reduces the size of 3D Gaussian over 40x, and surpasses existing methods in rate-distortion performance.
Im2win: An Efficient Convolution Paradigm on GPU
Convolution is the most time-consuming operation in deep neural network operations, so its performance is critical to the overall performance of the neural network. The commonly used methods for convolution on GPU include the general matrix multiplication (GEMM)-based convolution and the direct convolution. GEMM-based convolution relies on the im2col algorithm, which results in a large memory footprint and reduced performance. Direct convolution does not have the large memory footprint problem, but the performance is not on par with GEMM-based approach because of the discontinuous memory access. This paper proposes a window-order-based convolution paradigm on GPU, called im2win, which not only reduces memory footprint but also offers continuous memory accesses, resulting in improved performance. Furthermore, we apply a range of optimization techniques on the convolution CUDA kernel, including shared memory, tiling, micro-kernel, double buffer, and prefetching. We compare our implementation with the direct convolution, and PyTorch's GEMM-based convolution with cuBLAS and six cuDNN-based convolution implementations, with twelve state-of-the-art DNN benchmarks. The experimental results show that our implementation 1) uses less memory footprint by 23.1% and achieves 3.5times TFLOPS compared with cuBLAS, 2) uses less memory footprint by 32.8% and achieves up to 1.8times TFLOPS compared with the best performant convolutions in cuDNN, and 3) achieves up to 155times TFLOPS compared with the direct convolution. We further perform an ablation study on the applied optimization techniques and find that the micro-kernel has the greatest positive impact on performance.
PromptBoosting: Black-Box Text Classification with Ten Forward Passes
We describe PromptBoosting, a query-efficient procedure for building a text classifier from a neural language model (LM) without access to the LM's parameters, gradients, or hidden representations. This form of "black-box" classifier training has become increasingly important as the cost of training and inference in large-scale LMs grows. But existing black-box LM classifier learning approaches are themselves computationally inefficient, typically specializing LMs to the target task by searching in a large space of (discrete or continuous) prompts using zeroth-order optimization methods. Instead of directly optimizing in prompt space, PromptBoosting obtains a small pool of prompts via a gradient-free approach and then constructs a large pool of weak learners by pairing these prompts with different elements of the LM's output distribution. These weak learners are then ensembled using the AdaBoost algorithm. The entire learning process requires only a small number of forward passes and no backward pass. Experiments show that PromptBoosting achieves state-of-the-art performance in multiple black-box few-shot classification tasks, and matches or outperforms full fine-tuning in both few-shot and standard learning paradigms, while training 10x faster than existing black-box methods.
Analytically Tractable Hidden-States Inference in Bayesian Neural Networks
With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference
Optimal Counterfactual Explanations for Scorecard modelling
Counterfactual explanations is one of the post-hoc methods used to provide explainability to machine learning models that have been attracting attention in recent years. Most examples in the literature, address the problem of generating post-hoc explanations for black-box machine learning models after the rejection of a loan application. In contrast, in this work, we investigate mathematical programming formulations for scorecard models, a type of interpretable model predominant within the banking industry for lending. The proposed mixed-integer programming formulations combine objective functions to ensure close, realistic and sparse counterfactuals using multi-objective optimization techniques for a binary, probability or continuous outcome. Moreover, we extend these formulations to generate multiple optimal counterfactuals simultaneously while guaranteeing diversity. Experiments on two real-world datasets confirm that the presented approach can generate optimal diverse counterfactuals addressing desired properties with assumable CPU times for practice use.
Learning Actionable Representations from Visual Observations
In this work we explore a new approach for robots to teach themselves about the world simply by observing it. In particular we investigate the effectiveness of learning task-agnostic representations for continuous control tasks. We extend Time-Contrastive Networks (TCN) that learn from visual observations by embedding multiple frames jointly in the embedding space as opposed to a single frame. We show that by doing so, we are now able to encode both position and velocity attributes significantly more accurately. We test the usefulness of this self-supervised approach in a reinforcement learning setting. We show that the representations learned by agents observing themselves take random actions, or other agents perform tasks successfully, can enable the learning of continuous control policies using algorithms like Proximal Policy Optimization (PPO) using only the learned embeddings as input. We also demonstrate significant improvements on the real-world Pouring dataset with a relative error reduction of 39.4% for motion attributes and 11.1% for static attributes compared to the single-frame baseline. Video results are available at https://sites.google.com/view/actionablerepresentations .
Adaptive Image Quality Assessment via Teaching Large Multimodal Model to Compare
While recent advancements in large multimodal models (LMMs) have significantly improved their abilities in image quality assessment (IQA) relying on absolute quality rating, how to transfer reliable relative quality comparison outputs to continuous perceptual quality scores remains largely unexplored. To address this gap, we introduce Compare2Score-an all-around LMM-based no-reference IQA (NR-IQA) model, which is capable of producing qualitatively comparative responses and effectively translating these discrete comparative levels into a continuous quality score. Specifically, during training, we present to generate scaled-up comparative instructions by comparing images from the same IQA dataset, allowing for more flexible integration of diverse IQA datasets. Utilizing the established large-scale training corpus, we develop a human-like visual quality comparator. During inference, moving beyond binary choices, we propose a soft comparison method that calculates the likelihood of the test image being preferred over multiple predefined anchor images. The quality score is further optimized by maximum a posteriori estimation with the resulting probability matrix. Extensive experiments on nine IQA datasets validate that the Compare2Score effectively bridges text-defined comparative levels during training with converted single image quality score for inference, surpassing state-of-the-art IQA models across diverse scenarios. Moreover, we verify that the probability-matrix-based inference conversion not only improves the rating accuracy of Compare2Score but also zero-shot general-purpose LMMs, suggesting its intrinsic effectiveness.
Differentiable Neural Input Search for Recommender Systems
Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.
ReaderLM-v2: Small Language Model for HTML to Markdown and JSON
We present ReaderLM-v2, a compact 1.5 billion parameter language model designed for efficient web content extraction. Our model processes documents up to 512K tokens, transforming messy HTML into clean Markdown or JSON formats with high accuracy -- making it an ideal tool for grounding large language models. The model's effectiveness results from two key innovations: (1) a three-stage data synthesis pipeline that generates high quality, diverse training data by iteratively drafting, refining, and critiquing web content extraction; and (2) a unified training framework combining continuous pre-training with multi-objective optimization. Intensive evaluation demonstrates that ReaderLM-v2 outperforms GPT-4o-2024-08-06 and other larger models by 15-20\% on carefully curated benchmarks, particularly excelling at documents exceeding 100K tokens, while maintaining significantly lower computational requirements.
A Constructive, Type-Theoretic Approach to Regression via Global Optimisation
We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.
Greed is Good: Exploration and Exploitation Trade-offs in Bayesian Optimisation
The performance of acquisition functions for Bayesian optimisation to locate the global optimum of continuous functions is investigated in terms of the Pareto front between exploration and exploitation. We show that Expected Improvement (EI) and the Upper Confidence Bound (UCB) always select solutions to be expensively evaluated on the Pareto front, but Probability of Improvement is not guaranteed to do so and Weighted Expected Improvement does so only for a restricted range of weights. We introduce two novel epsilon-greedy acquisition functions. Extensive empirical evaluation of these together with random search, purely exploratory, and purely exploitative search on 10 benchmark problems in 1 to 10 dimensions shows that epsilon-greedy algorithms are generally at least as effective as conventional acquisition functions (e.g., EI and UCB), particularly with a limited budget. In higher dimensions epsilon-greedy approaches are shown to have improved performance over conventional approaches. These results are borne out on a real world computational fluid dynamics optimisation problem and a robotics active learning problem. Our analysis and experiments suggest that the most effective strategy, particularly in higher dimensions, is to be mostly greedy, occasionally selecting a random exploratory solution.
TreePO: Bridging the Gap of Policy Optimization and Efficacy and Inference Efficiency with Heuristic Tree-based Modeling
Recent advancements in aligning large language models via reinforcement learning have achieved remarkable gains in solving complex reasoning problems, but at the cost of expensive on-policy rollouts and limited exploration of diverse reasoning paths. In this work, we introduce TreePO, involving a self-guided rollout algorithm that views sequence generation as a tree-structured searching process. Composed of dynamic tree sampling policy and fixed-length segment decoding, TreePO leverages local uncertainty to warrant additional branches. By amortizing computation across common prefixes and pruning low-value paths early, TreePO essentially reduces the per-update compute burden while preserving or enhancing exploration diversity. Key contributions include: (1) a segment-wise sampling algorithm that alleviates the KV cache burden through contiguous segments and spawns new branches along with an early-stop mechanism; (2) a tree-based segment-level advantage estimation that considers both global and local proximal policy optimization. and (3) analysis on the effectiveness of probability and quality-driven dynamic divergence and fallback strategy. We empirically validate the performance gain of TreePO on a set reasoning benchmarks and the efficiency saving of GPU hours from 22\% up to 43\% of the sampling design for the trained models, meanwhile showing up to 40\% reduction at trajectory-level and 35\% at token-level sampling compute for the existing models. While offering a free lunch of inference efficiency, TreePO reveals a practical path toward scaling RL-based post-training with fewer samples and less compute. Home page locates at https://m-a-p.ai/TreePO.
The Best of N Worlds: Aligning Reinforcement Learning with Best-of-N Sampling via max@k Optimisation
The application of Reinforcement Learning with Verifiable Rewards (RLVR) to mathematical and coding domains has demonstrated significant improvements in the reasoning and problem-solving abilities of Large Language Models. Despite its success in single generation problem solving, the reinforcement learning fine-tuning process may harm the model's exploration ability, as reflected in decreased diversity of generations and a resulting degradation of performance during Best-of-N sampling for large N values. In this work, we focus on optimizing the max@k metric, a continuous generalization of pass@k. We derive an unbiased on-policy gradient estimate for direct optimization of this metric. Furthermore, we extend our derivations to the off-policy updates, a common element in modern RLVR algorithms, that allows better sample efficiency. Empirically, we show that our objective effectively optimizes max@k metric in off-policy scenarios, aligning the model with the Best-of-N inference strategy.
Neural Simulated Annealing
Simulated annealing (SA) is a stochastic global optimisation technique applicable to a wide range of discrete and continuous variable problems. Despite its simplicity, the development of an effective SA optimiser for a given problem hinges on a handful of carefully handpicked components; namely, neighbour proposal distribution and temperature annealing schedule. In this work, we view SA from a reinforcement learning perspective and frame the proposal distribution as a policy, which can be optimised for higher solution quality given a fixed computational budget. We demonstrate that this Neural SA with such a learnt proposal distribution, parametrised by small equivariant neural networks, outperforms SA baselines on a number of problems: Rosenbrock's function, the Knapsack problem, the Bin Packing problem, and the Travelling Salesperson problem. We also show that Neural SA scales well to large problems - generalising to significantly larger problems than the ones seen during training - while achieving comparable performance to popular off-the-shelf solvers and other machine learning methods in terms of solution quality and wall-clock time.
