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Sep 16

Efficient Multi-Hop Question Answering over Knowledge Graphs via LLM Planning and Embedding-Guided Search

Multi-hop question answering over knowledge graphs remains computationally challenging due to the combinatorial explosion of possible reasoning paths. Recent approaches rely on expensive Large Language Model (LLM) inference for both entity linking and path ranking, limiting their practical deployment. Additionally, LLM-generated answers often lack verifiable grounding in structured knowledge. We present two complementary hybrid algorithms that address both efficiency and verifiability: (1) LLM-Guided Planning that uses a single LLM call to predict relation sequences executed via breadth-first search, achieving near-perfect accuracy (micro-F1 > 0.90) while ensuring all answers are grounded in the knowledge graph, and (2) Embedding-Guided Neural Search that eliminates LLM calls entirely by fusing text and graph embeddings through a lightweight 6.7M-parameter edge scorer, achieving over 100 times speedup with competitive accuracy. Through knowledge distillation, we compress planning capability into a 4B-parameter model that matches large-model performance at zero API cost. Evaluation on MetaQA demonstrates that grounded reasoning consistently outperforms ungrounded generation, with structured planning proving more transferable than direct answer generation. Our results show that verifiable multi-hop reasoning does not require massive models at inference time, but rather the right architectural inductive biases combining symbolic structure with learned representations.

  • 2 authors
·
Nov 24, 2025

BikeBench: A Bicycle Design Benchmark for Generative Models with Objectives and Constraints

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems. We provide code, data, an interactive leaderboard, and other resources at https://github.com/Lyleregenwetter/BikeBench.

  • 5 authors
·
May 25, 2025

Adaptive primal dual hybrid gradient algorithms based on average spectrum for saddle point problems

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

  • 2 authors
·
Feb 28

A Technical Survey of Reinforcement Learning Techniques for Large Language Models

Reinforcement Learning (RL) has emerged as a transformative approach for aligning and enhancing Large Language Models (LLMs), addressing critical challenges in instruction following, ethical alignment, and reasoning capabilities. This survey offers a comprehensive foundation on the integration of RL with language models, highlighting prominent algorithms such as Proximal Policy Optimization (PPO), Q-Learning, and Actor-Critic methods. Additionally, it provides an extensive technical overview of RL techniques specifically tailored for LLMs, including foundational methods like Reinforcement Learning from Human Feedback (RLHF) and AI Feedback (RLAIF), as well as advanced strategies such as Direct Preference Optimization (DPO) and Group Relative Policy Optimization (GRPO). We systematically analyze their applications across domains, i.e., from code generation to tool-augmented reasoning. We also present a comparative taxonomy based on reward modeling, feedback mechanisms, and optimization strategies. Our evaluation highlights key trends. RLHF remains dominant for alignment, and outcome-based RL such as RLVR significantly improves stepwise reasoning. However, persistent challenges such as reward hacking, computational costs, and scalable feedback collection underscore the need for continued innovation. We further discuss emerging directions, including hybrid RL algorithms, verifier-guided training, and multi-objective alignment frameworks. This survey serves as a roadmap for researchers advancing RL-driven LLM development, balancing capability enhancement with safety and scalability.

  • 2 authors
·
Jul 5, 2025

Practical Benchmarking of Randomized Measurement Methods for Quantum Chemistry Hamiltonians

Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on a quantum device. To guide the selection of measurement methods designed for this observable estimation problem, we propose a benchmark called CSHOREBench (Common States and Hamiltonians for ObseRvable Estimation Benchmark) that assesses the performance of these methods against a set of common molecular Hamiltonians and common states encountered during the runtime of hybrid quantum-classical algorithms. In CSHOREBench, we account for resource utilization of a quantum computer through measurements of a prepared state, and a classical computer through computational runtime spent in proposing measurements and classical post-processing of acquired measurement outcomes. We apply CSHOREBench considering a variety of measurement methods on Hamiltonians of size up to 16 qubits. Our discussion is aided by using the framework of decision diagrams which provides an efficient data structure for various randomized methods and illustrate how to derandomize distributions on decision diagrams. In numerical simulations, we find that the methods of decision diagrams and derandomization are the most preferable. In experiments on IBM quantum devices against small molecules, we observe that decision diagrams reduces the number of measurements made by classical shadows by more than 80%, that made by locally biased classical shadows by around 57%, and consistently require fewer quantum measurements along with lower classical computational runtime than derandomization. Furthermore, CSHOREBench is empirically efficient to run when considering states of random quantum ansatz with fixed depth.

  • 7 authors
·
Dec 12, 2023

Hybrid Digital and Analog Beamforming Design for Large-Scale Antenna Arrays

The potential of using of millimeter wave (mmWave) frequency for future wireless cellular communication systems has motivated the study of large-scale antenna arrays for achieving highly directional beamforming. However, the conventional fully digital beamforming methods which require one radio frequency (RF) chain per antenna element is not viable for large-scale antenna arrays due to the high cost and high power consumption of RF chain components in high frequencies. To address the challenge of this hardware limitation, this paper considers a hybrid beamforming architecture in which the overall beamformer consists of a low-dimensional digital beamformer followed by an RF beamformer implemented using analog phase shifters. Our aim is to show that such an architecture can approach the performance of a fully digital scheme with much fewer number of RF chains. Specifically, this paper establishes that if the number of RF chains is twice the total number of data streams, the hybrid beamforming structure can realize any fully digital beamformer exactly, regardless of the number of antenna elements. For cases with fewer number of RF chains, this paper further considers the hybrid beamforming design problem for both the transmission scenario of a point-to-point multipleinput multiple-output (MIMO) system and a downlink multiuser multiple-input single-output (MU-MISO) system. For each scenario, we propose a heuristic hybrid beamforming design that achieves a performance close to the performance of the fully digital beamforming baseline. Finally, the proposed algorithms are modified for the more practical setting in which only finite resolution phase shifters are available. Numerical simulations show that the proposed schemes are effective even when phase shifters with very low resolution are used.

  • 2 authors
·
Jan 25, 2016 1

Accelerating Vehicle Routing via AI-Initialized Genetic Algorithms

Vehicle Routing Problems (VRP) are an extension of the Traveling Salesperson Problem and are a fundamental NP-hard challenge in combinatorial optimization. Solving VRP in real-time at large scale has become critical in numerous applications, from growing markets like last-mile delivery to emerging use-cases like interactive logistics planning. Such applications involve solving similar problem instances repeatedly, yet current state-of-the-art solvers treat each instance on its own without leveraging previous examples. We introduce a novel optimization framework that uses a reinforcement learning agent - trained on prior instances - to quickly generate initial solutions, which are then further optimized by genetic algorithms. Our framework, Evolutionary Algorithm with Reinforcement Learning Initialization (EARLI), consistently outperforms current state-of-the-art solvers across various time scales. For example, EARLI handles vehicle routing with 500 locations within 1s, 10x faster than current solvers for the same solution quality, enabling applications like real-time and interactive routing. EARLI can generalize to new data, as demonstrated on real e-commerce delivery data of a previously unseen city. Our hybrid framework presents a new way to combine reinforcement learning and genetic algorithms, paving the road for closer interdisciplinary collaboration between AI and optimization communities towards real-time optimization in diverse domains.

  • 8 authors
·
Apr 8, 2025

Discovering Multiagent Learning Algorithms with Large Language Models

Much of the advancement of Multi-Agent Reinforcement Learning (MARL) in imperfect-information games has historically depended on manual iterative refinement of baselines. While foundational families like Counterfactual Regret Minimization (CFR) and Policy Space Response Oracles (PSRO) rest on solid theoretical ground, the design of their most effective variants often relies on human intuition to navigate a vast algorithmic design space. In this work, we propose the use of AlphaEvolve, an evolutionary coding agent powered by large language models, to automatically discover new multiagent learning algorithms. We demonstrate the generality of this framework by evolving novel variants for two distinct paradigms of game-theoretic learning. First, in the domain of iterative regret minimization, we evolve the logic governing regret accumulation and policy derivation, discovering a new algorithm, Volatility-Adaptive Discounted (VAD-)CFR. VAD-CFR employs novel, non-intuitive mechanisms-including volatility-sensitive discounting, consistency-enforced optimism, and a hard warm-start policy accumulation schedule-to outperform state-of-the-art baselines like Discounted Predictive CFR+. Second, in the regime of population based training algorithms, we evolve training-time and evaluation-time meta strategy solvers for PSRO, discovering a new variant, Smoothed Hybrid Optimistic Regret (SHOR-)PSRO. SHOR-PSRO introduces a hybrid meta-solver that linearly blends Optimistic Regret Matching with a smoothed, temperature-controlled distribution over best pure strategies. By dynamically annealing this blending factor and diversity bonuses during training, the algorithm automates the transition from population diversity to rigorous equilibrium finding, yielding superior empirical convergence compared to standard static meta-solvers.

google Google
·
Feb 18 2

GraphVite: A High-Performance CPU-GPU Hybrid System for Node Embedding

Learning continuous representations of nodes is attracting growing interest in both academia and industry recently, due to their simplicity and effectiveness in a variety of applications. Most of existing node embedding algorithms and systems are capable of processing networks with hundreds of thousands or a few millions of nodes. However, how to scale them to networks that have tens of millions or even hundreds of millions of nodes remains a challenging problem. In this paper, we propose GraphVite, a high-performance CPU-GPU hybrid system for training node embeddings, by co-optimizing the algorithm and the system. On the CPU end, augmented edge samples are parallelly generated by random walks in an online fashion on the network, and serve as the training data. On the GPU end, a novel parallel negative sampling is proposed to leverage multiple GPUs to train node embeddings simultaneously, without much data transfer and synchronization. Moreover, an efficient collaboration strategy is proposed to further reduce the synchronization cost between CPUs and GPUs. Experiments on multiple real-world networks show that GraphVite is super efficient. It takes only about one minute for a network with 1 million nodes and 5 million edges on a single machine with 4 GPUs, and takes around 20 hours for a network with 66 million nodes and 1.8 billion edges. Compared to the current fastest system, GraphVite is about 50 times faster without any sacrifice on performance.

  • 4 authors
·
Mar 2, 2019

A hybrid deep-learning-metaheuristic framework for bi-level network design problems

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

  • 2 authors
·
Mar 10, 2023

Brain Tumor Detection and Classification based on Hybrid Ensemble Classifier

To improve patient survival and treatment outcomes, early diagnosis of brain tumors is an essential task. It is a difficult task to evaluate the magnetic resonance imaging (MRI) images manually. Thus, there is a need for digital methods for tumor diagnosis with better accuracy. However, it is still a very challenging task in assessing their shape, volume, boundaries, tumor detection, size, segmentation, and classification. In this proposed work, we propose a hybrid ensemble method using Random Forest (RF), K-Nearest Neighbour, and Decision Tree (DT) (KNN-RF-DT) based on Majority Voting Method. It aims to calculate the area of the tumor region and classify brain tumors as benign and malignant. In the beginning, segmentation is done by using Otsu's Threshold method. Feature Extraction is done by using Stationary Wavelet Transform (SWT), Principle Component Analysis (PCA), and Gray Level Co-occurrence Matrix (GLCM), which gives thirteen features for classification. The classification is done by hybrid ensemble classifier (KNN-RF-DT) based on the Majority Voting method. Overall it aimed at improving the performance by traditional classifiers instead of going to deep learning. Traditional classifiers have an advantage over deep learning algorithms because they require small datasets for training and have low computational time complexity, low cost to the users, and can be easily adopted by less skilled people. Overall, our proposed method is tested upon dataset of 2556 images, which are used in 85:15 for training and testing respectively and gives good accuracy of 97.305%.

  • 2 authors
·
Jan 1, 2021

Hybrid Intelligence

Research has a long history of discussing what is superior in predicting certain outcomes: statistical methods or the human brain. This debate has repeatedly been sparked off by the remarkable technological advances in the field of artificial intelligence (AI), such as solving tasks like object and speech recognition, achieving significant improvements in accuracy through deep-learning algorithms (Goodfellow et al. 2016), or combining various methods of computational intelligence, such as fuzzy logic, genetic algorithms, and case-based reasoning (Medsker 2012). One of the implicit promises that underlie these advancements is that machines will 1 day be capable of performing complex tasks or may even supersede humans in performing these tasks. This triggers new heated debates of when machines will ultimately replace humans (McAfee and Brynjolfsson 2017). While previous research has proved that AI performs well in some clearly defined tasks such as playing chess, playing Go or identifying objects on images, it is doubted that the development of an artificial general intelligence (AGI) which is able to solve multiple tasks at the same time can be achieved in the near future (e.g., Russell and Norvig 2016). Moreover, the use of AI to solve complex business problems in organizational contexts occurs scarcely, and applications for AI that solve complex problems remain mainly in laboratory settings instead of being implemented in practice. Since the road to AGI is still a long one, we argue that the most likely paradigm for the division of labor between humans and machines in the next decades is Hybrid Intelligence. This concept aims at using the complementary strengths of human intelligence and AI, so that they can perform better than each of the two could separately (e.g., Kamar 2016).

  • 4 authors
·
May 3, 2021

Cell nuclei classification in histopathological images using hybrid OLConvNet

Computer-aided histopathological image analysis for cancer detection is a major research challenge in the medical domain. Automatic detection and classification of nuclei for cancer diagnosis impose a lot of challenges in developing state of the art algorithms due to the heterogeneity of cell nuclei and data set variability. Recently, a multitude of classification algorithms has used complex deep learning models for their dataset. However, most of these methods are rigid and their architectural arrangement suffers from inflexibility and non-interpretability. In this research article, we have proposed a hybrid and flexible deep learning architecture OLConvNet that integrates the interpretability of traditional object-level features and generalization of deep learning features by using a shallower Convolutional Neural Network (CNN) named as CNN_{3L}. CNN_{3L} reduces the training time by training fewer parameters and hence eliminating space constraints imposed by deeper algorithms. We used F1-score and multiclass Area Under the Curve (AUC) performance parameters to compare the results. To further strengthen the viability of our architectural approach, we tested our proposed methodology with state of the art deep learning architectures AlexNet, VGG16, VGG19, ResNet50, InceptionV3, and DenseNet121 as backbone networks. After a comprehensive analysis of classification results from all four architectures, we observed that our proposed model works well and perform better than contemporary complex algorithms.

  • 2 authors
·
Feb 21, 2022

HOPE: A Reinforcement Learning-based Hybrid Policy Path Planner for Diverse Parking Scenarios

Automated parking stands as a highly anticipated application of autonomous driving technology. However, existing path planning methodologies fall short of addressing this need due to their incapability to handle the diverse and complex parking scenarios in reality. While non-learning methods provide reliable planning results, they are vulnerable to intricate occasions, whereas learning-based ones are good at exploration but unstable in converging to feasible solutions. To leverage the strengths of both approaches, we introduce Hybrid pOlicy Path plannEr (HOPE). This novel solution integrates a reinforcement learning agent with Reeds-Shepp curves, enabling effective planning across diverse scenarios. HOPE guides the exploration of the reinforcement learning agent by applying an action mask mechanism and employs a transformer to integrate the perceived environmental information with the mask. To facilitate the training and evaluation of the proposed planner, we propose a criterion for categorizing the difficulty level of parking scenarios based on space and obstacle distribution. Experimental results demonstrate that our approach outperforms typical rule-based algorithms and traditional reinforcement learning methods, showing higher planning success rates and generalization across various scenarios. We also conduct real-world experiments to verify the practicability of HOPE. The code for our solution is openly available on https://github.com/jiamiya/HOPE.

  • 6 authors
·
May 30, 2024

Orchestrating Tokens and Sequences: Dynamic Hybrid Policy Optimization for RLVR

Reinforcement Learning with Verifiable Rewards (RLVR) offers a promising framework for optimizing large language models in reasoning tasks. However, existing RLVR algorithms focus on different granularities, and each has complementary strengths and limitations. Group Relative Policy Optimization (GRPO) updates the policy with token-level importance ratios, which preserves fine-grained credit assignment but often suffers from high variance and instability. In contrast, Group Sequence Policy Optimization (GSPO) applies single sequence-level importance ratios across all tokens in a response that better matches sequence-level rewards, but sacrifices token-wise credit assignment. In this paper, we propose Dynamic Hybrid Policy Optimization (DHPO) to bridge GRPO and GSPO within a single clipped surrogate objective. DHPO combines token-level and sequence-level importance ratios using weighting mechanisms. We explore two variants of the mixing mechanism, including an averaged mixing and an entropy-guided mixing. To further stabilize training, we employ a branch-specific clipping strategy that constrains token-level and sequence-level ratios within separate trust regions before mixing, preventing outliers in either branch from dominating the update. Across seven challenging mathematical reasoning benchmarks, experiments on both dense and MoE models from the Qwen3 series show that DHPO consistently outperforms GRPO and GSPO. We will release our code upon acceptance of this paper.

  • 7 authors
·
Jan 9

FLARE: Diffusion for Hybrid Language Model

Autoregressive (AR) large language models (LLMs) have achieved broad practical success, but sequential decoding remains a key bottleneck for low-latency deployment. Recent efficient-inference work has progressed along two axes: reducing the cost of each model invocation through efficient architectures, and reducing serial decoding steps through parallel generation. Hybrid attention backbones address the former, while diffusion language models (dLLMs) pursue the latter via iterative parallel denoising. Combining these advantages remains challenging: AR-to-dLLM conversion often fails to preserve seed-checkpoint capability, and hybrid-attention recurrent states and masking constraints make diffusion training and serving nontrivial. We present FLARE, a systematic conversion framework for hybrid-attention LLMs. Our analysis identifies transfer data quality as the primary determinant of capability preservation, outweighing loss formulation and attention-mask design. The resulting framework combines a token-equal AR-and-diffusion objective, hardware-aware kernels, and unified inference, enabling one checkpoint to support both AR-style verified decoding and diffusion-style parallel denoising. Starting from strong AR checkpoints with limited post-training data, FLARE is competitive with leading open-source dLLMs across model scales and delivers consistent throughput gains over open-source dLLM baselines in single-GPU concurrent serving. Our results further suggest that practical dLLMs are limited not only by decoding algorithms, but also by transfer data quality and the training inefficiency of current block-diffusion objectives, motivating joint design of data, objectives, architectures, and inference systems.

  • 12 authors
·
May 31

Priming: Hybrid State Space Models From Pre-trained Transformers

Hybrid State-Space models combine Attention with recurrent State-Space Model (SSM) layers, balancing eidetic memory from Attention with compressed fading memory from SSMs. This yields smaller Key-Value caches and faster decoding than Transformers, along with a richer architectural design space. Exploring that design space at scale has so far required training from scratch, a barrier that has kept most large-model Hybrid research within a narrow range of architectures. We introduce Priming, a method that turns Hybrid architecture design from a pre-training problem into a knowledge transfer one. Priming initializes a Hybrid model from a pre-trained Transformer and, through short alignment and post-training phases, recovers downstream quality using less than 0.5% of the source model's pre-training token budget. Priming is agnostic to the source Transformer family (e.g., Qwen, Llama, Mistral), model class (dense or Mixture-of-Experts), and model scale. Priming enables us to run the first controlled comparison of SSM layer types at scale under identical conditions. We evaluate, Gated KalmaNet (GKA), Gated DeltaNet (GDN), and Mamba-2, and show that their expressiveness hierarchy, GKA>GDN>Mamba-2, directly predicts downstream performance on long-context reasoning tasks. We scale Priming to 8B/32B reasoning models with native 128K contexts. Our Hybrid GKA 32B improves over its source Qwen3-32B by +3.8 average reasoning points, while staying within 1% of a Transformer post-trained on the same data and enabling up to 2.3x higher decode throughput. To foster research on Hybrid architectures, we release a model zoo of primed Hybrid models for long-context reasoning and instruction following, together with the Priming training and inference code (Sequence Parallelism algorithms for long-context training, optimized GKA kernels, and vLLM serving plugin), all under Apache~2.0 License.

  • 9 authors
·
May 7

Adaptive Multiscale Retinal Diagnosis: A Hybrid Trio-Model Approach for Comprehensive Fundus Multi-Disease Detection Leveraging Transfer Learning and Siamese Networks

WHO has declared that more than 2.2 billion people worldwide are suffering from visual disorders, such as media haze, glaucoma, and drusen. At least 1 billion of these cases could have been either prevented or successfully treated, yet they remain unaddressed due to poverty, a lack of specialists, inaccurate ocular fundus diagnoses by ophthalmologists, or the presence of a rare disease. To address this, the research has developed the Hybrid Trio-Network Model Algorithm for accurately diagnosing 12 distinct common and rare eye diseases. This algorithm utilized the RFMiD dataset of 3,200 fundus images and the Binary Relevance Method to detect diseases separately, ensuring expandability and avoiding incorrect correlations. Each detector, incorporating finely tuned hyperparameters to optimize performance, consisted of three feature components: A classical transfer learning CNN model, a two-stage CNN model, and a Siamese Network. The diagnosis was made using features extracted through this Trio-Model with Ensembled Machine Learning algorithms. The proposed model achieved an average accuracy of 97% and an AUC score of 0.96. Compared to past benchmark studies, an increase of over 10% in the F1-score was observed for most diseases. Furthermore, using the Siamese Network, the model successfully made predictions in diseases like optic disc pallor, which past studies failed to predict due to low confidence. This diagnostic tool presents a stable, adaptive, cost-effective, efficient, accessible, and fast solution for globalizing early detection of both common and rare diseases.

  • 1 authors
·
May 27, 2024

Enhancing Quantum Variational Algorithms with Zero Noise Extrapolation via Neural Networks

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the ubiquitous presence of noise in quantum devices often limits the accuracy and reliability of VQE outcomes. This research introduces a novel approach to ameliorate this challenge by utilizing neural networks for zero noise extrapolation (ZNE) in VQE computations. By employing the Qiskit framework, we crafted parameterized quantum circuits using the RY-RZ ansatz and examined their behavior under varying levels of depolarizing noise. Our investigations spanned from determining the expectation values of a Hamiltonian, defined as a tensor product of Z operators, under different noise intensities to extracting the ground state energy. To bridge the observed outcomes under noise with the ideal noise-free scenario, we trained a Feed Forward Neural Network on the error probabilities and their associated expectation values. Remarkably, our model proficiently predicted the VQE outcome under hypothetical noise-free conditions. By juxtaposing the simulation results with real quantum device executions, we unveiled the discrepancies induced by noise and showcased the efficacy of our neural network-based ZNE technique in rectifying them. This integrative approach not only paves the way for enhanced accuracy in VQE computations on NISQ devices but also underlines the immense potential of hybrid quantum-classical paradigms in circumventing the challenges posed by quantum noise. Through this research, we envision a future where quantum algorithms can be reliably executed on noisy devices, bringing us one step closer to realizing the full potential of quantum computing.

  • 4 authors
·
Mar 10, 2024

When to Trust Your Simulator: Dynamics-Aware Hybrid Offline-and-Online Reinforcement Learning

Learning effective reinforcement learning (RL) policies to solve real-world complex tasks can be quite challenging without a high-fidelity simulation environment. In most cases, we are only given imperfect simulators with simplified dynamics, which inevitably lead to severe sim-to-real gaps in RL policy learning. The recently emerged field of offline RL provides another possibility to learn policies directly from pre-collected historical data. However, to achieve reasonable performance, existing offline RL algorithms need impractically large offline data with sufficient state-action space coverage for training. This brings up a new question: is it possible to combine learning from limited real data in offline RL and unrestricted exploration through imperfect simulators in online RL to address the drawbacks of both approaches? In this study, we propose the Dynamics-Aware Hybrid Offline-and-Online Reinforcement Learning (H2O) framework to provide an affirmative answer to this question. H2O introduces a dynamics-aware policy evaluation scheme, which adaptively penalizes the Q function learning on simulated state-action pairs with large dynamics gaps, while also simultaneously allowing learning from a fixed real-world dataset. Through extensive simulation and real-world tasks, as well as theoretical analysis, we demonstrate the superior performance of H2O against other cross-domain online and offline RL algorithms. H2O provides a brand new hybrid offline-and-online RL paradigm, which can potentially shed light on future RL algorithm design for solving practical real-world tasks.

  • 7 authors
·
Jun 27, 2022

Can LLMs Beat Classical Hyperparameter Optimization Algorithms? A Study on autoresearch

The autoresearch repository enables an LLM agent to optimize hyperparameters by editing training code directly. We use it as a testbed to compare classical HPO algorithms against LLM-based methods on tuning the hyperparameters of a small language model under a fixed compute budget. When defining a fixed search space over autoresearch, classical methods such as CMA-ES and TPE consistently outperform LLM-based agents, where avoiding out-of-memory failures matters more than search diversity. Allowing the LLM to directly edit source code narrows the gap to the classical methods but does not close it, even with frontier models available at the time of writing such as Claude Opus 4.6 and Gemini 3.1 Pro Preview. We observe that LLMs struggle to track optimization state across trials. In contrast, classical methods lack the domain knowledge of LLMs. To combine the strengths of both, we introduce Centaur, a hybrid that shares CMA-ES's interpretable internal state, including mean vector, step-size, and covariance matrix, with an LLM. Centaur achieves the best result in our experiments, and a 0.8B LLM already suffices to outperform all classical and pure LLM methods. Unconstrained code editing requires larger models to be competitive with classical methods. We further analyze search diversity, model scaling from 0.8B to frontier models, and ablate the fraction of LLM-proposed trials in Centaur. All in all, our results suggest that LLMs are most effective as a complement to classical optimizers, not as a replacement. Code is available at https://github.com/ferreirafabio/autoresearch-automl & interactive demo at https://ferreirafabio.github.io/autoresearch-automl.

  • 5 authors
·
Apr 16

Advancing Tabular Stroke Modelling Through a Novel Hybrid Architecture and Feature-Selection Synergy

Brain stroke remains one of the principal causes of death and disability worldwide, yet most tabular-data prediction models still hover below the 95% accuracy threshold, limiting real-world utility. Addressing this gap, the present work develops and validates a completely data-driven and interpretable machine-learning framework designed to predict strokes using ten routinely gathered demographic, lifestyle, and clinical variables sourced from a public cohort of 4,981 records. We employ a detailed exploratory data analysis (EDA) to understand the dataset's structure and distribution, followed by rigorous data preprocessing, including handling missing values, outlier removal, and class imbalance correction using Synthetic Minority Over-sampling Technique (SMOTE). To streamline feature selection, point-biserial correlation and random-forest Gini importance were utilized, and ten varied algorithms-encompassing tree ensembles, boosting, kernel methods, and a multilayer neural network-were optimized using stratified five-fold cross-validation. Their predictions based on probabilities helped us build the proposed model, which included Random Forest, XGBoost, LightGBM, and a support-vector classifier, with logistic regression acting as a meta-learner. The proposed model achieved an accuracy rate of 97.2% and an F1-score of 97.15%, indicating a significant enhancement compared to the leading individual model, LightGBM, which had an accuracy of 91.4%. Our study's findings indicate that rigorous preprocessing, coupled with a diverse hybrid model, can convert low-cost tabular data into a nearly clinical-grade stroke-risk assessment tool.

  • 3 authors
·
May 18, 2025

Quantum Transfer Learning for MNIST Classification Using a Hybrid Quantum-Classical Approach

In this research, we explore the integration of quantum computing with classical machine learning for image classification tasks, specifically focusing on the MNIST dataset. We propose a hybrid quantum-classical approach that leverages the strengths of both paradigms. The process begins with preprocessing the MNIST dataset, normalizing the pixel values, and reshaping the images into vectors. An autoencoder compresses these 784-dimensional vectors into a 64-dimensional latent space, effectively reducing the data's dimensionality while preserving essential features. These compressed features are then processed using a quantum circuit implemented on a 5-qubit system. The quantum circuit applies rotation gates based on the feature values, followed by Hadamard and CNOT gates to entangle the qubits, and measurements are taken to generate quantum outcomes. These outcomes serve as input for a classical neural network designed to classify the MNIST digits. The classical neural network comprises multiple dense layers with batch normalization and dropout to enhance generalization and performance. We evaluate the performance of this hybrid model and compare it with a purely classical approach. The experimental results indicate that while the hybrid model demonstrates the feasibility of integrating quantum computing with classical techniques, the accuracy of the final model, trained on quantum outcomes, is currently lower than the classical model trained on compressed features. This research highlights the potential of quantum computing in machine learning, though further optimization and advanced quantum algorithms are necessary to achieve superior performance.

  • 1 authors
·
Aug 5, 2024

GigaEvo: An Open Source Optimization Framework Powered By LLMs And Evolution Algorithms

Recent advances in LLM-guided evolutionary computation, particularly AlphaEvolve (Novikov et al., 2025; Georgiev et al., 2025), have demonstrated remarkable success in discovering novel mathematical constructions and solving challenging optimization problems. However, the high-level descriptions in published work leave many implementation details unspecified, hindering reproducibility and further research. In this report we present GigaEvo, an extensible open-source framework that enables researchers to study and experiment with hybrid LLM-evolution approaches inspired by AlphaEvolve. Our system provides modular implementations of key components: MAP-Elites quality-diversity algorithms, asynchronous DAG-based evaluation pipelines, LLM-driven mutation operators with insight generation and bidirectional lineage tracking, and flexible multi-island evolutionary strategies. In order to assess reproducibility and validate our implementation we evaluate GigaEvo on challenging problems from the AlphaEvolve paper: Heilbronn triangle placement, circle packing in squares, and high-dimensional kissing numbers. The framework emphasizes modularity, concurrency, and ease of experimentation, enabling rapid prototyping through declarative configuration. We provide detailed descriptions of system architecture, implementation decisions, and experimental methodology to support further research in LLM driven evolutionary methods. The GigaEvo framework and all experimental code are available at https://github.com/AIRI-Institute/gigaevo-core.

Enhancing Traffic Incident Management with Large Language Models: A Hybrid Machine Learning Approach for Severity Classification

This research showcases the innovative integration of Large Language Models into machine learning workflows for traffic incident management, focusing on the classification of incident severity using accident reports. By leveraging features generated by modern language models alongside conventional data extracted from incident reports, our research demonstrates improvements in the accuracy of severity classification across several machine learning algorithms. Our contributions are threefold. First, we present an extensive comparison of various machine learning models paired with multiple large language models for feature extraction, aiming to identify the optimal combinations for accurate incident severity classification. Second, we contrast traditional feature engineering pipelines with those enhanced by language models, showcasing the superiority of language-based feature engineering in processing unstructured text. Third, our study illustrates how merging baseline features from accident reports with language-based features can improve the severity classification accuracy. This comprehensive approach not only advances the field of incident management but also highlights the cross-domain application potential of our methodology, particularly in contexts requiring the prediction of event outcomes from unstructured textual data or features translated into textual representation. Specifically, our novel methodology was applied to three distinct datasets originating from the United States, the United Kingdom, and Queensland, Australia. This cross-continental application underlines the robustness of our approach, suggesting its potential for widespread adoption in improving incident management processes globally.

  • 4 authors
·
Mar 20, 2024

Efficient and Responsible Adaptation of Large Language Models for Robust and Equitable Top-k Recommendations

Conventional recommendation systems (RSs) are typically optimized to enhance performance metrics uniformly across all training samples, inadvertently overlooking the needs of diverse user populations. The performance disparity among various populations can harm the model's robustness to sub-populations due to the varying user properties. While large language models (LLMs) show promise in enhancing RS performance, their practical applicability is hindered by high costs, inference latency, and degraded performance on long user queries. To address these challenges, we propose a hybrid task allocation framework designed to promote social good by equitably serving all user groups. By adopting a two-phase approach, we promote a strategic assignment of tasks for efficient and responsible adaptation of LLMs. Our strategy works by first identifying the weak and inactive users that receive a suboptimal ranking performance by RSs. Next, we use an in-context learning approach for such users, wherein each user interaction history is contextualized as a distinct ranking task. We evaluate our hybrid framework by incorporating eight different recommendation algorithms and three different LLMs -- both open and close-sourced. Our results on three real-world datasets show a significant reduction in weak users and improved robustness to subpopulations without disproportionately escalating costs.

  • 4 authors
·
Jan 8, 2025

NTIRE 2026 The 3rd Restore Any Image Model (RAIM) Challenge: AI Flash Portrait (Track 3)

In this paper, we present a comprehensive overview of the NTIRE 2026 3rd Restore Any Image Model (RAIM) challenge, with a specific focus on Track 3: AI Flash Portrait. Despite significant advancements in deep learning for image restoration, existing models still encounter substantial challenges in real-world low-light portrait scenarios. Specifically, they struggle to achieve an optimal balance among noise suppression, detail preservation, and faithful illumination and color reproduction. To bridge this gap, this challenge aims to establish a novel benchmark for real-world low-light portrait restoration. We comprehensively evaluate the proposed algorithms utilizing a hybrid evaluation system that integrates objective quantitative metrics with rigorous subjective assessment protocols. For this competition, we provide a dataset containing 800 groups of real-captured low-light portrait data. Each group consists of a 1K-resolution low-light input image, a 1K ground truth (GT), and a 1K person mask. This challenge has garnered widespread attention from both academia and industry, attracting over 100 participating teams and receiving more than 3,000 valid submissions. This report details the motivation behind the challenge, the dataset construction process, the evaluation metrics, and the various phases of the competition. The released dataset and baseline code for this track are publicly available from the same https://github.com/zsn1434/AI_Flash-BaseLine/tree/main{GitHub repository}, and the official challenge webpage is hosted on https://www.codabench.org/competitions/12885/{CodaBench}.

  • 58 authors
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Apr 13

Quantum simulations of nuclear resonances with variational methods

The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform theta-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray Code (GC) encoding to reduce qubit requirements. We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic alpha-alpha nuclear potential and compute the resonance energies with a basis size of 16, using only four qubits. This study demonstrates, for the first time, that the complete theta-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems.

  • 3 authors
·
Apr 15, 2025

AerialMegaDepth: Learning Aerial-Ground Reconstruction and View Synthesis

We explore the task of geometric reconstruction of images captured from a mixture of ground and aerial views. Current state-of-the-art learning-based approaches fail to handle the extreme viewpoint variation between aerial-ground image pairs. Our hypothesis is that the lack of high-quality, co-registered aerial-ground datasets for training is a key reason for this failure. Such data is difficult to assemble precisely because it is difficult to reconstruct in a scalable way. To overcome this challenge, we propose a scalable framework combining pseudo-synthetic renderings from 3D city-wide meshes (e.g., Google Earth) with real, ground-level crowd-sourced images (e.g., MegaDepth). The pseudo-synthetic data simulates a wide range of aerial viewpoints, while the real, crowd-sourced images help improve visual fidelity for ground-level images where mesh-based renderings lack sufficient detail, effectively bridging the domain gap between real images and pseudo-synthetic renderings. Using this hybrid dataset, we fine-tune several state-of-the-art algorithms and achieve significant improvements on real-world, zero-shot aerial-ground tasks. For example, we observe that baseline DUSt3R localizes fewer than 5% of aerial-ground pairs within 5 degrees of camera rotation error, while fine-tuning with our data raises accuracy to nearly 56%, addressing a major failure point in handling large viewpoint changes. Beyond camera estimation and scene reconstruction, our dataset also improves performance on downstream tasks like novel-view synthesis in challenging aerial-ground scenarios, demonstrating the practical value of our approach in real-world applications.

  • 5 authors
·
Apr 17, 2025 2

Optima: Optimizing Effectiveness and Efficiency for LLM-Based Multi-Agent System

Large Language Model (LLM) based multi-agent systems (MAS) show remarkable potential in collaborative problem-solving, yet they still face critical challenges: low communication efficiency, poor scalability, and a lack of effective parameter-updating optimization methods. We present Optima, a novel framework that addresses these issues by significantly enhancing both communication efficiency and task effectiveness in LLM-based MAS through LLM training. Optima employs an iterative generate, rank, select, and train paradigm with a reward function balancing task performance, token efficiency, and communication readability. We explore various RL algorithms, including Supervised Fine-Tuning, Direct Preference Optimization, and their hybrid approaches, providing insights into their effectiveness-efficiency trade-offs. We integrate Monte Carlo Tree Search-inspired techniques for DPO data generation, treating conversation turns as tree nodes to explore diverse interaction paths. Evaluated on common multi-agent tasks, including information-asymmetric question answering and complex reasoning, Optima shows consistent and substantial improvements over single-agent baselines and vanilla MAS based on Llama 3 8B, achieving up to 2.8x performance gain with less than 10\% tokens on tasks requiring heavy information exchange. Moreover, Optima's efficiency gains open new possibilities for leveraging inference-compute more effectively, leading to improved inference-time scaling laws. By addressing fundamental challenges in LLM-based MAS, Optima shows the potential towards scalable, efficient, and effective MAS (https://chenweize1998.github.io/optima-project-page).

  • 6 authors
·
Oct 10, 2024 2

Harnessing Density Ratios for Online Reinforcement Learning

The theories of offline and online reinforcement learning, despite having evolved in parallel, have begun to show signs of the possibility for a unification, with algorithms and analysis techniques for one setting often having natural counterparts in the other. However, the notion of density ratio modeling, an emerging paradigm in offline RL, has been largely absent from online RL, perhaps for good reason: the very existence and boundedness of density ratios relies on access to an exploratory dataset with good coverage, but the core challenge in online RL is to collect such a dataset without having one to start. In this work we show -- perhaps surprisingly -- that density ratio-based algorithms have online counterparts. Assuming only the existence of an exploratory distribution with good coverage, a structural condition known as coverability (Xie et al., 2023), we give a new algorithm (GLOW) that uses density ratio realizability and value function realizability to perform sample-efficient online exploration. GLOW addresses unbounded density ratios via careful use of truncation, and combines this with optimism to guide exploration. GLOW is computationally inefficient; we complement it with a more efficient counterpart, HyGLOW, for the Hybrid RL setting (Song et al., 2022) wherein online RL is augmented with additional offline data. HyGLOW is derived as a special case of a more general meta-algorithm that provides a provable black-box reduction from hybrid RL to offline RL, which may be of independent interest.

  • 5 authors
·
Jan 17, 2024

A Survey on the Optimization of Large Language Model-based Agents

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on prompt design or fine-tuning strategies applied to vanilla LLMs, which often leads to limited effectiveness or suboptimal performance in complex agent-related environments. Although LLM optimization techniques can improve model performance across many general tasks, they lack specialized optimization towards critical agent functionalities such as long-term planning, dynamic environmental interaction, and complex decision-making. Although numerous recent studies have explored various strategies to optimize LLM-based agents for complex agent tasks, a systematic review summarizing and comparing these methods from a holistic perspective is still lacking. In this survey, we provide a comprehensive review of LLM-based agent optimization approaches, categorizing them into parameter-driven and parameter-free methods. We first focus on parameter-driven optimization, covering fine-tuning-based optimization, reinforcement learning-based optimization, and hybrid strategies, analyzing key aspects such as trajectory data construction, fine-tuning techniques, reward function design, and optimization algorithms. Additionally, we briefly discuss parameter-free strategies that optimize agent behavior through prompt engineering and external knowledge retrieval. Finally, we summarize the datasets and benchmarks used for evaluation and tuning, review key applications of LLM-based agents, and discuss major challenges and promising future directions. Our repository for related references is available at https://github.com/YoungDubbyDu/LLM-Agent-Optimization.

  • 7 authors
·
Mar 16, 2025

Optimization by Directional Attacks: Solving Problems with Neural Network Surrogates

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

  • 2 authors
·
Oct 1, 2025

Illuminating search spaces by mapping elites

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

  • 2 authors
·
Apr 19, 2015

AuON: A Linear-time Alternative to Semi-Orthogonal Momentum Updates

Orthogonal gradient updates have emerged as a promising direction in optimization for machine learning. However, traditional approaches such as SVD/QR decomposition incur prohibitive computational costs of O(n^3) and underperform compared to well-tuned SGD with momentum, since momentum is applied only after strict orthogonalization. Recent advances, such as Muon, improve efficiency by applying momentum before orthogonalization and producing semi-orthogonal matrices via Newton-Schulz iterations, reducing complexity to O(n^2). Nevertheless, quadratic costs remain a bottleneck. In this work, we study the semi-orthogonal properties of momentum-based updates and develop a method to bound momentum updates under a spectral-norm trust region, preserving directional information without requiring explicit semi-orthogonalization. We propose AuON (Alternative Unit-norm momentum updates by Normalized nonlinear scaling), a linear-time optimizer that achieves strong performance without constructing semi-orthogonal matrices, while preserving structural alignment and reconditioning ill-posed updates. Our approach combines hyperbolic-cosine RMS scaling transformations with normalization, demonstrating both effectiveness and computational efficiency compared to Newton-Schulz methods. We further introduce a hybrid variant (Hybrid-AuON) that applies a single Newton-Schulz iteration. Experiments across vision and language benchmarks show that AuON and its hybrid variant achieve performance comparable to strong baselines such as AdamW and Muon. Code is available at: https://github.com/ryyzn9/AuON

  • 1 authors
·
Sep 29, 2025

ATLAS: Scaffold-Free Algorithm Synthesis by LLMs via Embedding-Guided Quality-Diversity Search

Most LLM-based automated algorithm design methods optimize a designated component within a human-specified scaffold, fixing overall organization and component interactions. We present ATLAS, an embedding-guided quality-diversity framework for scaffold-free full-algorithm synthesis in combinatorial optimization. The problem specification supplies objectives and constraints; a minimal I/O interface fixes only instance and solution formats; the LLM chooses and restructures components, interactions, and control flow. This freedom enlarges the search space, risking invalid candidates and premature convergence to one design region. ATLAS independently detects execution, interface, and feasibility failures, recomputes objectives, and applies error-conditioned repair; similarity-based archive management preserves algorithms across embedding-space regions to counter premature convergence. Its three-layer search refines the best design, gives other regions dedicated refinement opportunities, and performs cross-region synthesis to recombine components and their interactions. Across four NP-hard problems, ATLAS outperforms several state-of-the-art component-synthesis methods and a matched full-synthesis baseline while remaining competitive with strong human-designed algorithms. One ATLAS run retains several algorithms with comparable performance from distinct embedding-space regions rather than a single design. Code inspection finds that these multi-component designs differ in their primary construction or global-search backbone. Our results suggest that embedding-guided quality-diversity search can make the enlarged full-algorithm design space practically searchable. Source code and exact executable prompts are available at <https://github.com/Danial-Yazdani/ATLAS>.

  • 5 authors
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Aug 15

HybridProver: Augmenting Theorem Proving with LLM-Driven Proof Synthesis and Refinement

Formal methods is pivotal for verifying the reliability of critical systems through rigorous mathematical proofs. However, its adoption is hindered by labor-intensive manual proofs and the expertise required to use theorem provers. Recent advancements in large language models (LLMs) offer new opportunities for automated theorem proving. Two promising approaches are generating tactics step by step and generating a whole proof directly with an LLM. However, existing work makes no attempt to combine the two approaches. In this work, we introduce HybridProver, a dual-model proof synthesis framework that combines tactic-based generation and whole-proof synthesis to harness the benefits of both approaches. HybridProver generates whole proof candidates for evaluation directly, then extracts proof sketches from those candidates. It then uses a tactic-based generation model that integrates automated tools to complete the sketches via stepwise refinement. We implement HybridProver for the Isabelle theorem prover and fine-tune LLMs on our optimized Isabelle datasets. Evaluation on the miniF2F dataset illustrates HybridProver's effectiveness. We achieve a 59.4% success rate on miniF2F, where the previous SOTA is 56.1%. Our ablation studies show that this SOTA result is attributable to combining whole-proof and tactic-based generation. Additionally, we show how the dataset quality, training parameters, and sampling diversity affect the final result during automated theorem proving with LLMs. All of our code, datasets, and LLMs are open source.

  • 4 authors
·
May 21, 2025

Probabilistic Partitive Partitioning (PPP)

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

  • 1 authors
·
Mar 9, 2020

Offline Data Enhanced On-Policy Policy Gradient with Provable Guarantees

Hybrid RL is the setting where an RL agent has access to both offline data and online data by interacting with the real-world environment. In this work, we propose a new hybrid RL algorithm that combines an on-policy actor-critic method with offline data. On-policy methods such as policy gradient and natural policy gradient (NPG) have shown to be more robust to model misspecification, though sometimes it may not be as sample efficient as methods that rely on off-policy learning. On the other hand, offline methods that depend on off-policy training often require strong assumptions in theory and are less stable to train in practice. Our new approach integrates a procedure of off-policy training on the offline data into an on-policy NPG framework. We show that our approach, in theory, can obtain a best-of-both-worlds type of result -- it achieves the state-of-art theoretical guarantees of offline RL when offline RL-specific assumptions hold, while at the same time maintaining the theoretical guarantees of on-policy NPG regardless of the offline RL assumptions' validity. Experimentally, in challenging rich-observation environments, we show that our approach outperforms a state-of-the-art hybrid RL baseline which only relies on off-policy policy optimization, demonstrating the empirical benefit of combining on-policy and off-policy learning. Our code is publicly available at https://github.com/YifeiZhou02/HNPG.

  • 4 authors
·
Nov 14, 2023

Enhanced Climbing Image Nudged Elastic Band method with Hessian Eigenmode Alignment

Accurate determination of transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), identify the minimum energy path between the two and thereby the saddle point on the energy surface that is relevant for the given transition, thus providing an estimate of the transition state within the harmonic approximation of transition state theory. Such calculations can, however, incur high computational costs and may suffer stagnation on exceptionally flat or rough energy surfaces. Conversely, methods that only require specification of an initial set of atomic coordinates, such as the minimum mode following (MMF) method, offer efficiency but can converge on saddle points that are not relevant for transition of interest. Here, we present an adaptive hybrid algorithm that integrates the CI-NEB with the MMF method so as to get faster convergence to the relevant saddle point. The method is benchmarked for the Baker-Chan (BC) saddle point test set using the PET-MAD machine-learned potential as well as 59 transitions of a heptamer island on Pt(111) from the OptBench benchmark set. A Bayesian analysis of the performance shows a reduction in energy and force calculations of 57% [95% CrI: -64%, -50%] relative to CI-NEB for the BC set, while a 31% mean reduction is found for the transitions of the heptamer island. These results establish this hybrid method as a highly effective tool for high-throughput automated chemical discovery of atomic rearrangements.

  • 3 authors
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Apr 6 1

VerSe: A Vertebrae Labelling and Segmentation Benchmark for Multi-detector CT Images

Vertebral labelling and segmentation are two fundamental tasks in an automated spine processing pipeline. Reliable and accurate processing of spine images is expected to benefit clinical decision-support systems for diagnosis, surgery planning, and population-based analysis on spine and bone health. However, designing automated algorithms for spine processing is challenging predominantly due to considerable variations in anatomy and acquisition protocols and due to a severe shortage of publicly available data. Addressing these limitations, the Large Scale Vertebrae Segmentation Challenge (VerSe) was organised in conjunction with the International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI) in 2019 and 2020, with a call for algorithms towards labelling and segmentation of vertebrae. Two datasets containing a total of 374 multi-detector CT scans from 355 patients were prepared and 4505 vertebrae have individually been annotated at voxel-level by a human-machine hybrid algorithm (https://osf.io/nqjyw/, https://osf.io/t98fz/). A total of 25 algorithms were benchmarked on these datasets. In this work, we present the the results of this evaluation and further investigate the performance-variation at vertebra-level, scan-level, and at different fields-of-view. We also evaluate the generalisability of the approaches to an implicit domain shift in data by evaluating the top performing algorithms of one challenge iteration on data from the other iteration. The principal takeaway from VerSe: the performance of an algorithm in labelling and segmenting a spine scan hinges on its ability to correctly identify vertebrae in cases of rare anatomical variations. The content and code concerning VerSe can be accessed at: https://github.com/anjany/verse.

  • 69 authors
·
Jan 24, 2020

XR-NPE: High-Throughput Mixed-precision SIMD Neural Processing Engine for Extended Reality Perception Workloads

This work proposes XR-NPE, a high-throughput Mixed-precision SIMD Neural Processing Engine, designed for extended reality (XR) perception workloads like visual inertial odometry (VIO), object classification, and eye gaze extraction. XR-NPE is first to support FP4, Posit (4,1), Posit (8,0), and Posit (16,1) formats, with layer adaptive hybrid-algorithmic implementation supporting ultra-low bit precision to significantly reduce memory bandwidth requirements, and accompanied by quantization-aware training for minimal accuracy loss. The proposed Reconfigurable Mantissa Multiplication and Exponent processing Circuitry (RMMEC) reduces dark silicon in the SIMD MAC compute engine, assisted by selective power gating to reduce energy consumption, providing 2.85x improved arithmetic intensity. XR-NPE achieves a maximum operating frequency of 1.72 GHz, area 0.016 mm2 , and arithmetic intensity 14 pJ at CMOS 28nm, reducing 42% area, 38% power compared to the best of state-of-the-art MAC approaches. The proposed XR-NPE based AXI-enabled Matrix-multiplication co-processor consumes 1.4x fewer LUTs, 1.77x fewer FFs, and provides 1.2x better energy efficiency compared to SoTA accelerators on VCU129. The proposed co-processor provides 23% better energy efficiency and 4% better compute density for VIO workloads. XR-NPE establishes itself as a scalable, precision-adaptive compute engine for future resource-constrained XR devices. The complete set for codes for results reproducibility are released publicly, enabling designers and researchers to readily adopt and build upon them. https://github.com/mukullokhande99/XR-NPE.

  • 5 authors
·
Aug 18, 2025 1

Hybrid Quantum-Classical Model for Image Classification

This study presents a systematic comparison between hybrid quantum-classical neural networks and purely classical models across three benchmark datasets (MNIST, CIFAR100, and STL10) to evaluate their performance, efficiency, and robustness. The hybrid models integrate parameterized quantum circuits with classical deep learning architectures, while the classical counterparts use conventional convolutional neural networks (CNNs). Experiments were conducted over 50 training epochs for each dataset, with evaluations on validation accuracy, test accuracy, training time, computational resource usage, and adversarial robustness (tested with epsilon=0.1 perturbations).Key findings demonstrate that hybrid models consistently outperform classical models in final accuracy, achieving {99.38\% (MNIST), 41.69\% (CIFAR100), and 74.05\% (STL10) validation accuracy, compared to classical benchmarks of 98.21\%, 32.25\%, and 63.76\%, respectively. Notably, the hybrid advantage scales with dataset complexity, showing the most significant gains on CIFAR100 (+9.44\%) and STL10 (+10.29\%). Hybrid models also train 5--12times faster (e.g., 21.23s vs. 108.44s per epoch on MNIST) and use 6--32\% fewer parameters} while maintaining superior generalization to unseen test data.Adversarial robustness tests reveal that hybrid models are significantly more resilient on simpler datasets (e.g., 45.27\% robust accuracy on MNIST vs. 10.80\% for classical) but show comparable fragility on complex datasets like CIFAR100 (sim1\% robustness for both). Resource efficiency analyses indicate that hybrid models consume less memory (4--5GB vs. 5--6GB for classical) and lower CPU utilization (9.5\% vs. 23.2\% on average).These results suggest that hybrid quantum-classical architectures offer compelling advantages in accuracy, training efficiency, and parameter scalability, particularly for complex vision tasks.

  • 1 authors
·
Sep 14, 2025 2

DASH: Fast Differentiable Architecture Search for Hybrid Attention in Minutes on a Single GPU

Hybrid attention architectures are becoming an increasingly important paradigm for improving LLM inference efficiency while preserving model quality, making hybrid architecture design a central problem. Existing designs often rely on manual empirical rules or proxy-based selector signals for layer-wise operator allocation. Recent NAS-style systems such as Jet-Nemotron demonstrate the promise of automated hybrid architecture search. However, Jet-Nemotron's PostNAS search stages alone use 200B tokens, making such search pipelines difficult to use as routine methods for hybrid architecture design. We introduce DASH, a fast differentiable search framework for hybrid attention architecture design, which relaxes discrete layer-wise attention operator placement into continuous architecture logits, prepares reusable teacher-aligned linear candidates, and performs architecture-only search with model and operator weights frozen to significantly enhance search efficiency. On Qwen2.5-3B-Instruct, DASH consistently outperforms a comprehensive suite of existing selector-style hybrid attention design baselines, showing that direct differentiable search can discover stronger hybrid architectures. Moreover, DASH achieves stronger RULER performance than released Jet-Nemotron models while remaining competitive on overlapping short-context and general benchmarks. Notably, each DASH search run uses only 12.3M tokens and takes about 20 minutes on a single RTX Pro 6000 GPU, corresponding to merely 0.006% of the PostNAS search tokens reported by Jet-Nemotron. These results suggest that high-quality hybrid attention architectures can be obtained through minutes-level differentiable search, providing a promising direction for hybrid architecture design.

  • 6 authors
·
May 19

Optimizing NOTEARS Objectives via Topological Swaps

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

  • 4 authors
·
May 26, 2023