Daily Papers

Reasoning ability has become a central focus in the advancement of Large Reasoning Models (LRMs). Although notable progress has been achieved on several reasoning benchmarks such as MATH500 and LiveCodeBench, existing benchmarks for algorithmic reasoning remain limited, failing to answer a critical question: Do LRMs truly master algorithmic reasoning? To answer this question, we propose AlgBench, an expert-curated benchmark that evaluates LRMs under an algorithm-centric paradigm. AlgBench consists of over 3,000 original problems spanning 27 algorithms, constructed by ACM algorithmic experts and organized under a comprehensive taxonomy, including Euclidean-structured, non-Euclidean-structured, non-optimized, local-optimized, global-optimized, and heuristic-optimized categories. Empirical evaluations on leading LRMs (e.g., Gemini-3-Pro, DeepSeek-v3.2-Speciale and GPT-o3) reveal substantial performance heterogeneity: while models perform well on non-optimized tasks (up to 92%), accuracy drops sharply to around 49% on globally optimized algorithms such as dynamic programming. Further analysis uncovers strategic over-shifts, wherein models prematurely abandon correct algorithmic designs due to necessary low-entropy tokens. These findings expose fundamental limitations of problem-centric reinforcement learning and highlight the necessity of an algorithm-centric training paradigm for robust algorithmic reasoning.

With the development of Deep Neural Networks (DNNs), plenty of methods based on DNNs have been proposed for Single Image Super-Resolution (SISR). However, existing methods mostly train the DNNs on uniformly sampled LR-HR patch pairs, which makes them fail to fully exploit informative patches within the image. In this paper, we present a simple yet effective data augmentation method. We first devise a heuristic metric to evaluate the informative importance of each patch pair. In order to reduce the computational cost for all patch pairs, we further propose to optimize the calculation of our metric by integral image, achieving about two orders of magnitude speedup. The training patch pairs are sampled according to their informative importance with our method. Extensive experiments show our sampling augmentation can consistently improve the convergence and boost the performance of various SISR architectures, including EDSR, RCAN, RDN, SRCNN and ESPCN across different scaling factors (x2, x3, x4). Code is available at https://github.com/littlepure2333/SamplingAug

Large language models (LLMs) for code have become indispensable in various domains, including code generation, reasoning tasks and agent systems.While open-access code LLMs are increasingly approaching the performance levels of proprietary models, high-quality code LLMs suitable for rigorous scientific investigation, particularly those with reproducible data processing pipelines and transparent training protocols, remain limited. The scarcity is due to various challenges, including resource constraints, ethical considerations, and the competitive advantages of keeping models advanced. To address the gap, we introduce OpenCoder, a top-tier code LLM that not only achieves performance comparable to leading models but also serves as an ``open cookbook'' for the research community. Unlike most prior efforts, we release not only model weights and inference code, but also the reproducible training data, complete data processing pipeline, rigorous experimental ablation results, and detailed training protocols for open scientific research. Through this comprehensive release, we identify the key ingredients for building a top-tier code LLM: (1) code optimized heuristic rules for data cleaning and methods for data deduplication, (2) recall of text corpus related to code and (3) high-quality synthetic data in both annealing and supervised fine-tuning stages. By offering this level of openness, we aim to broaden access to all aspects of a top-tier code LLM, with OpenCoder serving as both a powerful model and an open foundation to accelerate research, and enable reproducible advancements in code AI.

Reinforcement Learning from Human Feedback (RLHF) stands as a pivotal technique in empowering large language model (LLM) applications. Since RLHF involves diverse computational workloads and intricate dependencies among multiple LLMs, directly adopting parallelization techniques from supervised training can result in sub-optimal performance. To overcome this limitation, we propose a novel approach named parameter ReaLlocation, which dynamically redistributes LLM parameters in the cluster and adapts parallelization strategies during training. Building upon this idea, we introduce ReaLHF, a pioneering system capable of automatically discovering and running efficient execution plans for RLHF training given the desired algorithmic and hardware configurations. ReaLHF formulates the execution plan for RLHF as an augmented dataflow graph. Based on this formulation, ReaLHF employs a tailored search algorithm with a lightweight cost estimator to discover an efficient execution plan. Subsequently, the runtime engine deploys the selected plan by effectively parallelizing computations and redistributing parameters. We evaluate ReaLHF on the LLaMA-2 models with up to 4times70 billion parameters and 128 GPUs. The experiment results showcase ReaLHF's substantial speedups of 2.0-10.6times compared to baselines. Furthermore, the execution plans generated by ReaLHF exhibit an average of 26% performance improvement over heuristic approaches based on Megatron-LM. The source code of ReaLHF is publicly available at https://github.com/openpsi-project/ReaLHF .

Risk scores are simple classification models that let users make quick risk predictions by adding and subtracting a few small numbers. These models are widely used in medicine and criminal justice, but are difficult to learn from data because they need to be calibrated, sparse, use small integer coefficients, and obey application-specific operational constraints. In this paper, we present a new machine learning approach to learn risk scores. We formulate the risk score problem as a mixed integer nonlinear program, and present a cutting plane algorithm for non-convex settings to efficiently recover its optimal solution. We improve our algorithm with specialized techniques to generate feasible solutions, narrow the optimality gap, and reduce data-related computation. Our approach can fit risk scores in a way that scales linearly in the number of samples, provides a certificate of optimality, and obeys real-world constraints without parameter tuning or post-processing. We benchmark the performance benefits of this approach through an extensive set of numerical experiments, comparing to risk scores built using heuristic approaches. We also discuss its practical benefits through a real-world application where we build a customized risk score for ICU seizure prediction in collaboration with the Massachusetts General Hospital.

The diffusion MRI Neurite Exchange Imaging model offers a promising framework for probing gray matter microstructure by estimating parameters such as compartment sizes, diffusivities, and inter-compartmental water exchange time. However, existing protocols require long scan times. This study proposes a reduced acquisition scheme for the Connectome 2.0 scanner that preserves model accuracy while substantially shortening scan duration. We developed a data-driven framework using explainable artificial intelligence with a guided recursive feature elimination strategy to identify an optimal 8-feature subset from a 15-feature protocol. The performance of this optimized protocol was validated in vivo and benchmarked against the full acquisition and alternative reduction strategies. Parameter accuracy, preservation of anatomical contrast, and test-retest reproducibility were assessed. The reduced protocol yielded parameter estimates and cortical maps comparable to the full protocol, with low estimation errors in synthetic data and minimal impact on test-retest variability. Compared to theory-driven and heuristic reduction schemes, the optimized protocol demonstrated superior robustness, reducing the deviation in water exchange time estimates by over two-fold. In conclusion, this hybrid optimization framework enables viable imaging of neurite exchange in 14 minutes without loss of parameter fidelity. This approach supports the broader application of exchange-sensitive diffusion magnetic resonance imaging in neuroscience and clinical research, and offers a generalizable method for designing efficient acquisition protocols in biophysical parameter mapping.

This paper describes our submission for the End-to-end Multi-domain Task Completion Dialog shared task at the 9th Dialog System Technology Challenge (DSTC-9). Participants in the shared task build an end-to-end task completion dialog system which is evaluated by human evaluation and a user simulator based automatic evaluation. Different from traditional pipelined approaches where modules are optimized individually and suffer from cascading failure, we propose an end-to-end dialog system that 1) uses Generative Pretraining 2 (GPT-2) as the backbone to jointly solve Natural Language Understanding, Dialog State Tracking, and Natural Language Generation tasks, 2) adopts Domain and Task Adaptive Pretraining to tailor GPT-2 to the dialog domain before finetuning, 3) utilizes heuristic pre/post-processing rules that greatly simplify the prediction tasks and improve generalizability, and 4) equips a fault tolerance module to correct errors and inappropriate responses. Our proposed method significantly outperforms baselines and ties for first place in the official evaluation. We make our source code publicly available.

Aligning sentences in a reference summary with their counterparts in source documents was shown as a useful auxiliary summarization task, notably for generating training data for salience detection. Despite its assessed utility, the alignment step was mostly approached with heuristic unsupervised methods, typically ROUGE-based, and was never independently optimized or evaluated. In this paper, we propose establishing summary-source alignment as an explicit task, while introducing two major novelties: (1) applying it at the more accurate proposition span level, and (2) approaching it as a supervised classification task. To that end, we created a novel training dataset for proposition-level alignment, derived automatically from available summarization evaluation data. In addition, we crowdsourced dev and test datasets, enabling model development and proper evaluation. Utilizing these data, we present a supervised proposition alignment baseline model, showing improved alignment-quality over the unsupervised approach.

Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them impractical for large-scale applications. Representation-based approaches are far more scalable, but typically rely on heuristic embeddings that are not optimized for attribution, limiting their fidelity. To address these challenges, we propose AirRep, a scalable, representation-based approach that closes this gap by learning task-specific and model-aligned representations optimized explicitly for TDA. AirRep introduces two key innovations: a trainable encoder tuned for attribution quality, and an attention-based pooling mechanism that enables accurate estimation of group-wise influence. We train AirRep using a ranking objective over automatically constructed training subsets labeled by their empirical effect on target predictions. Experiments on instruction-tuned LLMs demonstrate that AirRep achieves performance on par with state-of-the-art gradient-based approaches while being nearly two orders of magnitude more efficient at inference time. Further analysis highlights its robustness and generalization across tasks and models. Our code is available at https://github.com/sunnweiwei/AirRep.

Although Automatic Speech Recognition (ASR) in Bengali has seen significant progress, processing long-duration audio and performing robust speaker diarization remain critical research gaps. To address the severe scarcity of joint ASR and diarization resources for this language, we introduce Lipi-Ghor-882, a comprehensive 882-hour multi-speaker Bengali dataset. In this paper, detailing our submission to the DL Sprint 4.0 competition, we systematically evaluate various architectures and approaches for long-form Bengali speech. For ASR, we demonstrate that raw data scaling is ineffective; instead, targeted fine-tuning utilizing perfectly aligned annotations paired with synthetic acoustic degradation (noise and reverberation) emerges as the singular most effective approach. Conversely, for speaker diarization, we observed that global open-source state-of-the-art models (such as Diarizen) performed surprisingly poorly on this complex dataset. Extensive model retraining yielded negligible improvements; instead, strategic, heuristic post-processing of baseline model outputs proved to be the primary driver for increasing accuracy. Ultimately, this work outlines a highly optimized dual pipeline achieving a sim0.019 Real-Time Factor (RTF), establishing a practical, empirically backed benchmark for low-resource, long-form speech processing.

Video question answering (VQA) with vision-language models (VLMs) depends critically on which frames are selected from the input video, yet most systems rely on uniform or heuristic sampling that cannot be optimized for downstream answering quality. We introduce HORNet, a lightweight frame selection policy trained with Group Relative Policy Optimization (GRPO) to learn which frames a frozen VLM needs to answer questions correctly. With fewer than 1M trainable parameters, HORNet reduces input frames by up to 99\% and VLM processing time by up to 93\%, while improving answer quality on short-form benchmarks (+1.7\% F1 on MSVD-QA) and achieving strong performance on temporal reasoning tasks (+7.3 points over uniform sampling on NExT-QA). We formalize this as Select Any Frames (SAF), a task that decouples visual input curation from VLM reasoning, and show that GRPO-trained selection generalizes better out-of-distribution than supervised and PPO alternatives. HORNet's policy further transfers across VLM answerers without retraining, yielding an additional 8.5\% relative gain when paired with a stronger model. Evaluated across six benchmarks spanning 341,877 QA pairs and 114.2 hours of video, our results demonstrate that optimizing what a VLM sees is a practical and complementary alternative to optimizing what it generates while improving efficiency. Code is available at https://github.com/ostadabbas/HORNet.

Conventional community detection requires centralized network data, making it unsuitable for distributed or privacy-preserving systems. In this paper, we demonstrate that macroscopic graph partitioning can emerge purely from strictly local, privacy preserving interactions driven by social learning. By reframing clustering as a symmetry-breaking process within nonlinear opinion dynamics, we show that exchanging saturated state dependent signal (like public actions) forces a network to naturally fracture along its sparsest cuts. We mathematically establish the spectral conditions under which dense core communities lock into stable, polarized states, robustly resisting external influence. To apply this mechanism, we propose three decentralized algorithms, leading up to the Score-based Edge Reliability (SER) framework. By evaluating network ties across multiple independent discussion topics, SER statistically bypasses the errors of traditional greedy bisections and naturally isolates structurally ambiguous frontier nodes. Validations on the ABCD benchmark and the real-world Ngogo chimpanzee network confirm that our fully decentralized approach matches the accuracy of globally optimized heuristics (e.g., Louvain, Leiden) up to a theoretical limit of detectable graphs.

Prompt optimization aims to find the best prompt to a large language model (LLM) for a given task. LLMs have been successfully used to help find and improve prompt candidates for single-step tasks. However, realistic tasks for agents are multi-step and introduce new challenges: (1) Prompt content is likely to be more extensive and complex, making it more difficult for LLMs to analyze errors, (2) the impact of an individual step is difficult to evaluate, and (3) different people may have varied preferences about task execution. While humans struggle to optimize prompts, they are good at providing feedback about LLM outputs; we therefore introduce a new LLM-driven discrete prompt optimization framework PRompt Optimization in Multi-Step Tasks (PROMST) that incorporates human-designed feedback rules to automatically offer direct suggestions for improvement. We also use an extra learned heuristic model that predicts prompt performance to efficiently sample from prompt candidates. This approach significantly outperforms both human-engineered prompts and several other prompt optimization methods across 11 representative multi-step tasks (an average 10.6\%-29.3\% improvement to current best methods on five LLMs respectively). We believe our work can serve as a benchmark for automatic prompt optimization for LLM-driven multi-step tasks. Datasets and Codes are available at https://github.com/yongchao98/PROMST. Project Page is available at https://yongchao98.github.io/MIT-REALM-PROMST.

While numerous frameworks have been developed to enhance the reasoning abilities of large language models (LLMs), there is a scarcity of methods that effectively balance the trade-off between cost and quality. In this paper, we introduce Fleet of Agents (FoA), a novel and intuitive yet principled framework utilizing LLMs as agents to navigate through dynamic tree searches, employing a genetic-type particle filtering approach. FoA spawns a multitude of agents, each exploring the search space autonomously, followed by a selection phase where resampling based on a heuristic value function optimizes the balance between exploration and exploitation. This mechanism enables dynamic branching, adapting the exploration strategy based on discovered solutions. We conduct extensive experiments on three benchmark tasks, ``Game of 24'', ``Mini-Crosswords'', and ``WebShop'', utilizing four different LLMs, ``GPT-3.5'', ``GPT-4'', ``LLaMA3.2-11B'', and ``LLaMA3.2-90B''. On average across all tasks and LLMs, FoA obtains a quality improvement of ~5% while requiring only ~40% of the cost of previous SOTA methods. Notably, our analyses reveal that (1) FoA achieves the best cost-quality trade-off among all benchmarked methods and (2) FoA + LLaMA3.2-11B surpasses the Llama3.2-90B model. FoA is publicly available at https://github.com/au-clan/FoA.

Since the adoption of large language models (LLMs) for text evaluation has become increasingly prevalent in the field of natural language processing (NLP), a series of existing works attempt to optimize the prompts for LLM evaluators to improve their alignment with human judgment. However, their efforts are limited to optimizing individual factors of evaluation prompts, such as evaluation criteria or output formats, neglecting the combinatorial impact of multiple factors, which leads to insufficient optimization of the evaluation pipeline. Nevertheless, identifying well-behaved prompting strategies for adjusting multiple factors requires extensive enumeration. To this end, we comprehensively integrate 8 key factors for evaluation prompts and propose a novel automatic prompting strategy optimization method called Heuristic Prompting Strategy Search (HPSS). Inspired by the genetic algorithm, HPSS conducts an iterative search to find well-behaved prompting strategies for LLM evaluators. A heuristic function is employed to guide the search process, enhancing the performance of our algorithm. Extensive experiments across four evaluation tasks demonstrate the effectiveness of HPSS, consistently outperforming both human-designed evaluation prompts and existing automatic prompt optimization methods. Our code is available at https://github.com/thu-coai/HPSS.

We introduce Riemannian Lyapunov Optimizers (RLOs), a family of optimization algorithms that unifies classic optimizers within one geometric framework. Unlike heuristic improvements to existing optimizers, RLOs are systematically derived from a novel control-theoretic framework that reinterprets optimization as an extended state discrete-time controlled dynamical system on a Riemannian parameter manifold. Central to this framework is the identification of a Normally Attracting Invariant Manifold (NAIM), which organizes training dynamics into two distinct stages: rapid alignment of the speed state to a target graph, followed by controlled evolution within it. We formalize this by constructing a strict Lyapunov function that certifies convergence to a target manifold. This perspective yields a constructive ``optimizer generator" that not only recovers classic algorithms but enables the principled design of RLOs. We validate our theory via geometric diagnostics and demonstrate that grounding optimizer design in control theory yields state-of-the-art performance in large-scale benchmarks. Overall, RLOs bridge control theory and modern machine learning optimization, providing a unified language and a systematic toolkit for designing stable, effective optimizers.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

In recent years, people from all over the world are suffering from one of the most severe diseases in history, known as Coronavirus disease 2019, COVID-19 for short. When the virus reaches the lungs, it has a higher probability to cause lung pneumonia and sepsis. X-ray image is a powerful tool in identifying the typical features of the infection for COVID-19 patients. The radiologists and pathologists observe that ground-glass opacity appears in the chest X-ray for infected patient cozzi2021ground, and it could be used as one of the criteria during the diagnosis process. In the past few years, deep learning has proven to be one of the most powerful methods in the field of image classification. Due to significant differences in Chest X-Ray between normal and infected people rousan2020chest, deep models could be used to identify the presence of the disease given a patient's Chest X-Ray. Many deep models are complex, and it evolves with lots of input parameters. Designers sometimes struggle with the tuning process for deep models, especially when they build up the model from scratch. Genetic Algorithm, inspired by the biological evolution process, plays a key role in solving such complex problems. In this paper, I proposed a genetic-based approach to optimize the Convolutional Neural Network(CNN) for the Chest X-Ray classification task.

Scaling foundation model training with Distributed Data Parallel (DDP) methods is bandwidth-limited. Existing infrequent communication methods like Local SGD were designed to synchronize only model parameters and cannot be trivially applied to adaptive optimizers due to additional optimizer states. Current approaches extending Local SGD either lack convergence guarantees or require synchronizing all optimizer states, tripling communication costs. We propose Desynced Low Communication Adaptive Optimizers (DES-LOC), a family of optimizers assigning independent synchronization periods to parameters and momenta, enabling lower communication costs while preserving convergence. Through extensive experiments on language models of up to 1.7B, we show that DES-LOC can communicate 170x less than DDP and 2x less than the previous state-of-the-art Local ADAM. Furthermore, unlike previous heuristic approaches, DES-LOC is suited for practical training scenarios prone to system failures. DES-LOC offers a scalable, bandwidth-efficient, and fault-tolerant solution for foundation model training.

Resolving real-world software engineering (SWE) issues with autonomous agents requires complex, long-horizon reasoning. Current pipelines are bottlenecked by unoptimized demonstration data, sparse execution rewards, and computationally prohibitive inference scaling, which collectively exacerbate token bloat, reward hacking, and policy degradation. We present SWE-TRACE (Trajectory Reduction and Agentic Criteria Evaluation), a unified framework optimizing the SWE agent lifecycle across data curation, reinforcement learning (RL), and test-time inference. First, we introduce an LLM multi-task cascading method, utilizing stepwise oracle verification to distill a 60K-instance Supervised Fine-Tuning (SFT) corpus strictly biased toward token-efficient, shortest-path trajectories. Second, to overcome the instability of sparse outcome rewards, we design a MemoryAugmented Agentic RL pipeline featuring a Rubric-Based Process Reward Model (PRM). An auxiliary Rubric-Agent provides dense, fine-grained heuristic feedback on intermediate steps, guiding the model through long-horizon tasks. Finally, we bridge training and inference by repurposing the PRM for heuristic-guided Test-Time Scaling (TTS). By dynamically evaluating and pruning action candidates at each step, SWE-TRACE achieves superior search efficiency without the latency overhead of standard parallel sampling. Extensive experiments on standard SWE benchmarks demonstrate that SWE-TRACE significantly advances the state-of-the-art, maximizing resolution rates while drastically reducing both token consumption and inference latency.

Small Language Models (SLMs) offer a balance between capability and computational feasibility. Neural scaling laws inform their optimal training, suggesting that they possess rich internal representations that scale with their size. However, deploying even these SLMs can be challenging under strict resource constraints. Language model probing provides methods for analyzing the linguistic knowledge encoded in a model's internals. We propose ProbScale, a framework that unifies insights from scaling laws and probing to identify parameter-efficient subnetworks within pre-trained SLMs. ProbScale utilizes the high-quality representations of well-scaled SLMs and uses task-specific probes to mathematically quantify the relevance of each layer for target downstream capabilities. This allows selecting subnetworks that optimally trade off performance against parameter size. We formulate the subnetwork selection as finding a layer subset maximizing aggregated, task-weighted probe performance under a parameter budget. Experiments on representative SLMs such as RoBERTa-Large and T5-Base demonstrate that ProbScale identifies subnetworks achieving significant parameter reduction, from 5 to 10 times, while maintaining high performance (95% to 98% of the original SLMs) on targeted tasks, outperforming heuristic baselines.

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e., LLM-AHD), can autonomously discover high-performing heuristics. However, existing LLM-AHD frameworks typically treat LLMs as passive generators within fixed workflows, where the model generates heuristics from manually designed, limited context. Such context may fail to capture state-dependent information (e.g., specific failure modes), leading to inefficient trial-and-error exploration. To overcome these limitations, we propose AHD Agent, a novel tool-integrated, multi-turn framework that empowers LLMs to proactively decide whether to generate heuristics or invoke tools to retrieve targeted evidence from the solving environment. To effectively train such a dynamic decision-making agent, we introduce an agentic reinforcement learning (RL) system, which leverages a novel environment synthesis pipeline to optimize a compact model's generalizable AHD capabilities. Experiments across eight diverse domains, including four held-out tasks, demonstrate that our 4B-parameter agent matches or surpasses state-of-the-art baselines using much larger models, while requiring significantly fewer evaluations. Model and inference scaling analysis further reveals that AHD Agent offers an effective trajectory toward truly autonomous heuristic design.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

The distribution of high-quality Greenberger-Horne-Zeilinger (GHZ) states is at the heart of many quantum communication tasks, ranging from extending the baseline of telescopes to secret sharing. They also play an important role in error-correction architectures for distributed quantum computation, where Bell pairs can be leveraged to create an entangled network of quantum computers. We investigate the creation and distillation of GHZ states out of non-perfect Bell pairs over quantum networks. In particular, we introduce a heuristic dynamic programming algorithm to optimize over a large class of protocols that create and purify GHZ states. All protocols considered use a common framework based on measurements of non-local stabilizer operators of the target state (i.e., the GHZ state), where each non-local measurement consumes another (non-perfect) entangled state as a resource. The new protocols outperform previous proposals for scenarios without decoherence and local gate noise. Furthermore, the algorithms can be applied for finding protocols for any number of parties and any number of entangled pairs involved.

Specialized hardware accelerators have been extensively used for Deep Neural Networks (DNNs) to provide power/performance benefits. These accelerators contain specialized hardware that supports DNN operators, and scratchpad memory for storing the tensor operands. Often, the size of the scratchpad is insufficient to store all the tensors needed for the computation, and additional data accesses are needed to move tensors back and forth from host memory during the computation with significant power/performance overhead. The volume of these additional data accesses depends on the operator schedule, and memory allocation (specific locations selected for the tensors in the scratchpad). We propose an optimization framework, named COSMA, for mapping DNNs to an accelerator that finds the optimal operator schedule, memory allocation and tensor replacement that minimizes the additional data accesses. COSMA provides an Integer Linear Programming (ILP) formulation to generate the optimal solution for mapping a DNN to the accelerator for a given scratchpad size. We demonstrate that, using an off-the-shelf ILP solver, COSMA obtains the optimal solution in seconds for a wide-range of state-of-the-art DNNs for different applications. Further, it out-performs existing methods by reducing on average 84% of the non-compulsory data accesses. We further propose a divide-and-conquer heuristic to scale up to certain complex DNNs generated by Neural Architecture Search, and this heuristic solution reduces on average 85% data accesses compared with other works.

Aligning generative flow models on continuous spaces via online reinforcement learning is constrained by intractable trajectory likelihoods. Existing density-approximated policy gradient methods rely on stochastic SDE samplers to construct tractable transition kernels, which introduce training-inference inconsistencies and necessitates Classifier-Free Guidance (CFG). While implicit frameworks such as DiffusionNFT directly optimize forward-process velocity fields, its heuristic fixed-magnitude corrections prevent optimization strength from relative intra-group quality. We propose Flow Advantage-Weighted Rectification (FlowAWR), a paradigm that recasts continuous generative policy optimization as supervised regression toward a theoretically optimal velocity field. Starting from the optimal policy of a KL-constrained reward maximization, FlowAWR derives the optimal velocity field that admits a magnitude-aware, advantage-weighted rectification form, yielding SDE-free optimization and CFG-free generation. In comparative evaluations on SD3.5-Medium, FlowAWR achieves improved alignment performance alongside a 2times to 5times convergence acceleration over DiffusionNFT (e.g., reaching a 24.12 PickScore in 1.2k steps, versus 23.82 in 2.0k steps for DiffusionNFT and 23.50 in >4k steps for FlowGRPO). Under multi-reward constraints, FlowAWR sustains generation quality, satisfying structural rules while maintaining stable out-of-domain performance.

This paper examines the role of cognitive biases in the decision-making processes of large language models (LLMs), challenging the conventional goal of eliminating all biases. We show that certain cognitive biases when properly balanced, can enhance decision-making efficiency through rational deviations and heuristic shortcuts. By introducing heuristic moderation and an abstention option, which allows LLMs to withhold responses when uncertain, we reduce error rates, improve decision accuracy, and optimize decision rates. Using the Balance Rigor and Utility (BRU) dataset, developed through expert collaboration, our findings demonstrate that targeted inspection of cognitive biases aligns LLM decisions more closely with human reasoning, enhancing reliability and suggesting strategies for future improvements. This approach offers a novel way to leverage cognitive biases to improve the practical utility of LLMs across various applications.

Large-scale multimodal pre-trained models like CLIP rely heavily on high-quality training data, yet raw web-crawled datasets are often noisy, misaligned, and redundant, leading to inefficient training and suboptimal generalization. Existing data selection methods are either heuristic-based, suffering from bias and limited diversity, or data-driven but task-agnostic, failing to optimize for multi-task scenarios. To address these gaps, we introduce TADS (Task-Aware Data Selection), a novel framework for multi-task multimodal pre-training that integrates Intrinsic Quality, Task Relevance, and Distributional Diversity into a learnable value function. TADS employs a comprehensive quality assessment system with unimodal and cross-modal operators, quantifies task relevance via interpretable similarity vectors, and optimizes diversity through cluster-based weighting. A feedback-driven meta-learning mechanism adaptively refines the selection strategy based on proxy model performance across multiple downstream tasks. Experiments on CC12M demonstrate that TADS achieves superior zero-shot performance on benchmarks like ImageNet, CIFAR-100, MS-COCO, and Flickr30K, using only 36% of the data while outperforming baselines by an average of 1.0%. This highlights that TADS significantly enhances data efficiency by curating a high-utility subset that yields a much higher performance ceiling within the same computational constraints.

The mixture of experts (MoE) model is a sparse variant of large language models (LLMs), designed to hold a better balance between intelligent capability and computational overhead. Despite its benefits, MoE is still too expensive to deploy on resource-constrained edge devices, especially with the demands of on-device inference services. Recent research efforts often apply model compression techniques, such as quantization, pruning and merging, to restrict MoE complexity. Unfortunately, due to their predefined static model optimization strategies, they cannot always achieve the desired quality-overhead trade-off when handling multiple requests, finally degrading the on-device quality of service. These limitations motivate us to propose the D^2MoE, an algorithm-system co-design framework that matches diverse task requirements by dynamically allocating the most proper bit-width to each expert. Specifically, inspired by the nested structure of matryoshka dolls, we propose the matryoshka weight quantization (MWQ) to progressively compress expert weights in a bit-nested manner and reduce the required runtime memory. On top of it, we further optimize the I/O-computation pipeline and design a heuristic scheduling algorithm following our hottest-expert-bit-first (HEBF) principle, which maximizes the expert parallelism between I/O and computation queue under constrained memory budgets, thus significantly reducing the idle temporal bubbles waiting for the experts to load. Evaluations on real edge devices show that D^2MoE improves the overall inference throughput by up to 1.39times and reduces the peak memory footprint by up to 53% over the latest on-device inference frameworks, while still preserving comparable serving accuracy as its INT8 counterparts.

Text retrieval plays a crucial role in incorporating factual knowledge for decision making into language processing pipelines, ranging from chat-based web search to question answering systems. Current state-of-the-art text retrieval models leverage pre-trained large language models (LLMs) to achieve competitive performance, but training LLM-based retrievers via typical contrastive losses requires intricate heuristics, including selecting hard negatives and using additional supervision as learning signals. This reliance on heuristics stems from the fact that the contrastive loss itself is heuristic and does not directly optimize the downstream metrics of decision quality at the end of the processing pipeline. To address this issue, we introduce Neural PG-RANK, a novel training algorithm that learns to rank by instantiating a LLM as a Plackett-Luce ranking policy. Neural PG-RANK provides a principled method for end-to-end training of retrieval models as part of larger decision systems via policy gradient, with little reliance on complex heuristics, and it effectively unifies the training objective with downstream decision-making quality. We conduct extensive experiments on various text retrieval benchmarks. The results demonstrate that when the training objective aligns with the evaluation setup, Neural PG-RANK yields remarkable in-domain performance improvement, with substantial out-of-domain generalization to some critical datasets employed in downstream question answering tasks.

As high-quality public text approaches exhaustion, a phenomenon known as the Data Wall, pre-training is shifting from more tokens to better tokens. However, existing methods either rely on heuristic static filters that ignore training dynamics, or use dynamic yet optimizer-agnostic criteria based on raw gradients. We propose OPUS (Optimizer-induced Projected Utility Selection), a dynamic data selection framework that defines utility in the optimizer-induced update space. OPUS scores candidates by projecting their effective updates, shaped by modern optimizers, onto a target direction derived from a stable, in-distribution proxy. To ensure scalability, we employ Ghost technique with CountSketch for computational efficiency, and Boltzmann sampling for data diversity, incurring only 4.7\% additional compute overhead. OPUS achieves remarkable results across diverse corpora, quality tiers, optimizers, and model scales. In pre-training of GPT-2 Large/XL on FineWeb and FineWeb-Edu with 30B tokens, OPUS outperforms industrial-level baselines and even full 200B-token training. Moreover, when combined with industrial-level static filters, OPUS further improves pre-training efficiency, even with lower-quality data. Furthermore, in continued pre-training of Qwen3-8B-Base on SciencePedia, OPUS achieves superior performance using only 0.5B tokens compared to full training with 3B tokens, demonstrating significant data efficiency gains in specialized domains.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

Deep residual architectures, such as ResNet and the Transformer, have enabled models of unprecedented depth, yet a formal understanding of why depth is so effective remains an open question. A popular intuition, following Veit et al. (2016), is that these residual networks behave like ensembles of many shallower models. Our key finding is an explicit analytical formula that verifies this ensemble perspective, proving that increasing network depth is mathematically equivalent to expanding the size of this implicit ensemble. Furthermore, our expansion reveals a hierarchical ensemble structure in which the combinatorial growth of computation paths leads to an explosion in the output signal, explaining the historical necessity of normalization layers in training deep models. This insight offers a first principles explanation for the historical dependence on normalization layers and sheds new light on a family of successful normalization-free techniques like SkipInit and Fixup. However, while these previous approaches infer scaling factors through optimizer analysis or a heuristic analogy to Batch Normalization, our work offers the first explanation derived directly from the network's inherent functional structure. Specifically, our Residual Expansion Theorem reveals that scaling each residual module provides a principled solution to taming the combinatorial explosion inherent to these architectures. We further show that this scaling acts as a capacity controls that also implicitly regularizes the model's complexity.

Trajectory data, which tracks movements through geographic locations, is crucial for improving real-world applications. However, collecting such sensitive data raises considerable privacy concerns. Local differential privacy (LDP) offers a solution by allowing individuals to locally perturb their trajectory data before sharing it. Despite its privacy benefits, LDP protocols are vulnerable to data poisoning attacks, where attackers inject fake data to manipulate aggregated results. In this work, we make the first attempt to analyze vulnerabilities in several representative LDP trajectory protocols. We propose TraP, a heuristic algorithm for data Poisoning attacks using a prefix-suffix method to optimize fake Trajectory selection, significantly reducing computational complexity. Our experimental results demonstrate that our attack can substantially increase target pattern occurrences in the perturbed trajectory dataset with few fake users. This study underscores the urgent need for robust defenses and better protocol designs to safeguard LDP trajectory data against malicious manipulation.

Large Language Models (LLMs) exhibit hallucinations in knowledge-intensive tasks. Graph-based retrieval augmented generation (RAG) has emerged as a promising solution, yet existing approaches suffer from fundamental recall and precision limitations when operating over black-box knowledge graphs -- graphs whose schema and structure are unknown in advance. We identify three core challenges that cause recall loss (semantic instantiation uncertainty and structural path uncertainty) and precision loss (evidential comparison uncertainty). To address these challenges, we formalize the retrieval task as the Optimal Informative Subgraph Retrieval (OISR) problem -- a variant of Group Steiner Tree -- and prove it to be NP-hard and APX-hard. We propose BubbleRAG, a training-free pipeline that systematically optimizes for both recall and precision through semantic anchor grouping, heuristic bubble expansion to discover candidate evidence graphs (CEGs), composite ranking, and reasoning-aware expansion. Experiments on multi-hop QA benchmarks demonstrate that BubbleRAG achieves state-of-the-art results, outperforming strong baselines in both F1 and accuracy while remaining plug-and-play.

Neural Machine Translation (NMT) models generally perform translation using a fixed-size lexical vocabulary, which is an important bottleneck on their generalization capability and overall translation quality. The standard approach to overcome this limitation is to segment words into subword units, typically using some external tools with arbitrary heuristics, resulting in vocabulary units not optimized for the translation task. Recent studies have shown that the same approach can be extended to perform NMT directly at the level of characters, which can deliver translation accuracy on-par with subword-based models, on the other hand, this requires relatively deeper networks. In this paper, we propose a more computationally-efficient solution for character-level NMT which implements a hierarchical decoding architecture where translations are subsequently generated at the level of words and characters. We evaluate different methods for open-vocabulary NMT in the machine translation task from English into five languages with distinct morphological typology, and show that the hierarchical decoding model can reach higher translation accuracy than the subword-level NMT model using significantly fewer parameters, while demonstrating better capacity in learning longer-distance contextual and grammatical dependencies than the standard character-level NMT model.

We introduce KAPSO, a modular framework for autonomous program synthesis and optimization. Given a natural language goal and an evaluation method, KAPSO iteratively performs ideation, code synthesis and editing, execution, evaluation, and learning to improve a runnable artifact toward measurable objectives. Rather than treating synthesis as the endpoint, KAPSO uses synthesis as an operator within a long-horizon optimization loop, where progress is defined by evaluator outcomes. KAPSO targets long-horizon failures common in coding agents, including lost experimental state, brittle debugging, and weak reuse of domain expertise, by integrating three tightly coupled components. First, a git-native experimentation engine isolates each attempt as a branch, producing reproducible artifacts and preserving provenance across iterations. Second, a knowledge system ingests heterogeneous sources, including repositories, internal playbooks, and curated external resources such as documentation, scientific papers, and web search results, and organizes them into a structured representation that supports retrieval over workflows, implementations, and environment constraints. Third, a cognitive memory layer coordinates retrieval and maintains an episodic store of reusable lessons distilled from experiment traces (run logs, diffs, and evaluator feedback), reducing repeated error modes and accelerating convergence. We evaluated KAPSO on MLE-Bench (Kaggle-style ML competitions) and ALE-Bench (AtCoder heuristic optimization), and report end-to-end performance. Code Available at: https://github.com/Leeroo-AI/kapso

Training neural networks requires significant computational resources and energy. Methods like mixed-precision and quantization-aware training reduce bit usage, yet they still depend heavily on computationally expensive gradient-based optimization. In this work, we propose a paradigm shift: eliminate gradients altogether. One might hope that, in a finite quantized space, finding optimal weights with out gradients would be easier but we theoretically prove that this problem is NP-hard even in simple settings where the continuous case is efficiently solvable. To address this, we introduce a novel heuristic optimization framework that avoids full weight updates and significantly improves efficiency. Empirically, our method achieves performance comparable to that of full-precision gradient-based training on standard datasets and architectures, while using up to 3x less energy and requiring up to 5x fewer parameter updates.

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

A notion of quantum natural evolution strategies is introduced, which provides a geometric synthesis of a number of known quantum/classical algorithms for performing classical black-box optimization. Recent work of Gomes et al. [2019] on heuristic combinatorial optimization using neural quantum states is pedagogically reviewed in this context, emphasizing the connection with natural evolution strategies. The algorithmic framework is illustrated for approximate combinatorial optimization problems, and a systematic strategy is found for improving the approximation ratios. In particular it is found that natural evolution strategies can achieve approximation ratios competitive with widely used heuristic algorithms for Max-Cut, at the expense of increased computation time.

Deep Neural Networks (DNNs) are extensively employed in safety-critical applications where ensuring hardware reliability is a primary concern. To enhance the reliability of DNNs against hardware faults, activation restriction techniques significantly mitigate the fault effects at the DNN structure level, irrespective of accelerator architectures. State-of-the-art methods offer either neuron-wise or layer-wise clipping activation functions. They attempt to determine optimal clipping thresholds using heuristic and learning-based approaches. Layer-wise clipped activation functions cannot preserve DNNs resilience at high bit error rates. On the other hand, neuron-wise clipping activation functions introduce considerable memory overhead due to the addition of parameters, which increases their vulnerability to faults. Moreover, the heuristic-based optimization approach demands numerous fault injections during the search process, resulting in time-consuming threshold identification. On the other hand, learning-based techniques that train thresholds for entire layers concurrently often yield sub-optimal results. In this work, first, we demonstrate that it is not essential to incorporate neuron-wise activation functions throughout all layers in DNNs. Then, we propose a hybrid clipped activation function that integrates neuron-wise and layer-wise methods that apply neuron-wise clipping only in the last layer of DNNs. Additionally, to attain optimal thresholds in the clipping activation function, we introduce ProAct, a progressive training methodology. This approach iteratively trains the thresholds on a layer-by-layer basis, aiming to obtain optimal threshold values in each layer separately.

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.

Network robustness plays a crucial role in our understanding of complex interconnected systems such as transportation, communication, and computer networks. While significant research has been conducted in the area of network robustness, no comprehensive open-source toolbox currently exists to assist researchers and practitioners in this important topic. This lack of available tools hinders reproducibility and examination of existing work, development of new research, and dissemination of new ideas. We contribute TIGER, an open-sourced Python toolbox to address these challenges. TIGER contains 22 graph robustness measures with both original and fast approximate versions; 17 failure and attack strategies; 15 heuristic and optimization-based defense techniques; and 4 simulation tools. By democratizing the tools required to study network robustness, our goal is to assist researchers and practitioners in analyzing their own networks; and facilitate the development of new research in the field. TIGER has been integrated into the Nvidia Data Science Teaching Kit available to educators across the world; and Georgia Tech's Data and Visual Analytics class with over 1,000 students. TIGER is open sourced at: https://github.com/safreita1/TIGER

Reinforcement learning has become central to post-training large language models, yet dominant algorithms rely on clipping mechanisms that introduce optimization issues at scale, including zero-gradient regions, reward hacking, and training instability. We propose Clipping-Free Policy Optimization (CFPO), which replaces heuristic clipping with a convex quadratic penalty derived from Total Variation divergence constraints, yielding an everywhere-differentiable objective that enforces stable policy updates without hard boundaries. We evaluate CFPO across both reasoning and alignment settings. In reasoning, CFPO matches clipping-based methods on downstream benchmarks while extending the stable training regime. In alignment, CFPO mitigates verbosity exploitation and reduces capability degradation, while achieving competitive instruction-following performance. CFPO requires only a one-line code change and no additional hyperparameters. Our results suggest that CFPO is a promising drop-in alternative to clipping-based methods for LLM post-training.

Structural vibrations are a source of unwanted noise in engineering systems like cars, trains or airplanes. Minimizing these vibrations is crucial for improving passenger comfort. This work presents a novel design optimization approach based on guided flow matching for reducing vibrations by placing beadings (indentations) in plate-like structures. Our method integrates a generative flow matching model and a surrogate model trained to predict structural vibrations. During the generation process, the flow matching model pushes towards manufacturability while the surrogate model pushes to low-vibration solutions. The flow matching model and its training data implicitly define the design space, enabling a broader exploration of potential solutions as no optimization of manually-defined design parameters is required. We apply our method to a range of differentiable optimization objectives, including direct optimization of specific eigenfrequencies through careful construction of the objective function. Results demonstrate that our method generates diverse and manufacturable plate designs with reduced structural vibrations compared to designs from random search, a criterion-based design heuristic and genetic optimization. The code and data are available from https://github.com/ecker-lab/Optimizing_Vibrating_Plates.

Quantum annealing is a promising heuristic for combinatorial optimization, but on current hardware its performance degrades for larger and more complex problems due to noise and small energy gaps. Reverse annealing has been proposed as a refinement strategy, yet it remains unclear when it provides systematic advantages over standard forward annealing or simply increasing annealing time. We find that combining forward and reverse annealing consistently improves solution quality and efficiency across multiple problem classes. The benefits of reverse annealing increase with problem complexity and are strongest in regimes where forward annealing is increasingly limited. Moreover, reverse annealing yields larger efficiency gains than simply extending forward annealing times. We establish these results through a systematic experimental study on a D-Wave Advantage system, benchmarking reverse annealing across Max-Cut, Number Partitioning, and sparse clustering problems while varying reverse distance, pause duration, and annealing time. We identify a narrow optimal regime for reverse annealing parameters linked to the location of freeze-out points and energy-level crossings in the annealing schedule. These findings demonstrate that reverse annealing is most valuable for large, high-complexity optimization problems and is likely to gain importance as quantum annealing hardware scales toward more realistic applications.

Long-context large language models (LLMs)-for example, Gemini-3.1-Pro and Qwen-3.5-are widely used to empower many real-world applications, such as retrieval-augmented generation, autonomous agents, and AI assistants. However, security remains a major concern for their widespread deployment, with threats such as prompt injection and knowledge corruption. To quantify the security risks faced by LLMs under these threats, the research community has developed heuristic-based and optimization-based red-teaming methods. Optimization-based methods generally produce stronger attacks than heuristic attacks and thus provide a more rigorous assessment of LLM security risks. However, they are often resource-intensive, requiring significant computation and GPU memory, especially for long context scenarios. The resource-intensive nature poses a major obstacle for the community (especially academic researchers) to systematically evaluate the security risks of long-context LLMs and assess the effectiveness of defense strategies at scale. In this work, we propose FlashRT, the first framework to improve the efficiency (in terms of both computation and memory) for optimization-based prompt injection and knowledge corruption attacks under long-context LLMs. Through extensive evaluations, we find that FlashRT consistently delivers a 2x-7x speedup (e.g., reducing runtime from one hour to less than ten minutes) and a 2x-4x reduction in GPU memory consumption (e.g., reducing from 264.1 GB to 65.7 GB GPU memory for a 32K token context) compared to state-of-the-art baseline nanoGCG. FlashRT can be broadly applied to black-box optimization methods, such as TAP and AutoDAN. We hope FlashRT can serve as a red-teaming tool to enable systematic evaluation of long-context LLM security. The code is available at: https://github.com/Wang-Yanting/FlashRT

Domain adaptive panoptic segmentation promises to resolve the long tail of corner cases in natural scene understanding. Previous state of the art addresses this problem with cross-task consistency, careful system-level optimization and heuristic improvement of teacher predictions. In contrast, we propose to build upon remarkable capability of mask transformers to estimate their own prediction uncertainty. Our method avoids noise amplification by leveraging fine-grained confidence of panoptic teacher predictions. In particular, we modulate the loss with mask-wide confidence and discourage back-propagation in pixels with uncertain teacher or confident student. Experimental evaluation on standard benchmarks reveals a substantial contribution of the proposed selection techniques. We report 47.4 PQ on Synthia to Cityscapes, which corresponds to an improvement of 6.2 percentage points over the state of the art. The source code is available at https://github.com/helen1c/MC-PanDA.

Large Language Models (LLMs) have demonstrated exceptional performance in natural language processing tasks, yet their massive size makes serving them inefficient and costly. Semi-structured pruning has emerged as an effective method for model acceleration, but existing approaches are suboptimal because they focus on local, layer-wise optimizations using heuristic rules, failing to leverage global feedback. We present ProxSparse, a learning-based framework for mask selection enabled by regularized optimization. ProxSparse transforms the rigid, non-differentiable mask selection process into a smoother optimization procedure, allowing gradual mask exploration with flexibility. ProxSparse does not involve additional weight updates once the mask is determined. Our extensive evaluations on 7 widely used models show that ProxSparse consistently outperforms previously proposed semi-structured mask selection methods with significant improvement, demonstrating the effectiveness of our learned approach towards semi-structured pruning.

3D human pose estimation from sketches has broad applications in computer animation and film production. Unlike traditional human pose estimation, this task presents unique challenges due to the abstract and disproportionate nature of sketches. Previous sketch-to-pose methods, constrained by the lack of large-scale sketch-3D pose annotations, primarily relied on optimization with heuristic rules-an approach that is both time-consuming and limited in generalizability. To address these challenges, we propose a novel approach leveraging a "learn from synthesis" strategy. First, a diffusion model is trained to synthesize sketch images from 2D poses projected from 3D human poses, mimicking disproportionate human structures in sketches. This process enables the creation of a synthetic dataset, SKEP-120K, consisting of 120k accurate sketch-3D pose annotation pairs across various sketch styles. Building on this synthetic dataset, we introduce an end-to-end data-driven framework for estimating human poses and shapes from diverse sketch styles. Our framework combines existing 2D pose detectors and generative diffusion priors for sketch feature extraction with a feed-forward neural network for efficient 2D pose estimation. Multiple heuristic loss functions are incorporated to guarantee geometric coherence between the derived 3D poses and the detected 2D poses while preserving accurate self-contacts. Qualitative, quantitative, and subjective evaluations collectively show that our model substantially surpasses previous ones in both estimation accuracy and speed for sketch-to-pose tasks.

(Aim) Dragon Boat Racing, a popular aquatic folklore team sport, is traditionally held during the Dragon Boat Festival. Inspired by this event, we propose a novel human-based meta-heuristic algorithm called dragon boat optimization (DBO) in this paper. (Method) It models the unique behaviors of each crew member on the dragon boat during the race by introducing social psychology mechanisms (social loafing, social incentive). Throughout this process, the focus is on the interaction and collaboration among the crew members, as well as their decision-making in different situations. During each iteration, DBO implements different state updating strategies. By modelling the crew's behavior and adjusting the state updating strategies, DBO is able to maintain high-performance efficiency. (Results) We have tested the DBO algorithm with 29 mathematical optimization problems and 2 structural design problems. (Conclusion) The experimental results demonstrate that DBO is competitive with state-of-the-art meta-heuristic algorithms as well as conventional methods.

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.

We introduce the Discrete Min-Max Violation (DMMV) as a general optimization problem which seeks an assignment of discrete values to variables that minimizes the largest constraint violation. This context-free mathematical formulation is applicable to a wide range of use cases that have worst-case performance requirements. After defining the DMMV problem mathematically, we explore its properties to establish a foundational understanding. To tackle DMMV instance sizes of practical relevance, we develop a GPU-accelerated heuristic that takes advantage of the mathematical properties of DMMV for speeding up the solution process. We demonstrate the versatile applicability of our heuristic by solving three optimization problems as use cases: (1) post-training quantization of language models, (2) discrete tomography, and (3) Finite Impulse Response (FIR) filter design. In quantization without outlier separation, our heuristic achieves 14% improvement on average over existing methods. In discrete tomography, it reduces reconstruction error by 16% under uniform noise and accelerates computations by a factor of 6 on GPU. For FIR filter design, it nearly achieves 50% ripple reduction compared to using the commercial integer optimization solver, Gurobi. Our comparative results point to the benefits of studying DMMV as a context-free optimization problem and the advantages that our proposed heuristic offers on three distinct problems. Our GPU-accelerated heuristic will be made open-source to further stimulate research on DMMV and its other applications. The code is available at https://anonymous.4open.science/r/AMVM-5F3E/

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce HeurAgenix, a two-stage hyper-heuristic framework powered by large language models (LLMs) that first evolves heuristics and then selects among them automatically. In the heuristic evolution phase, HeurAgenix leverages an LLM to compare seed heuristic solutions with higher-quality solutions and extract reusable evolution strategies. During problem solving, it dynamically picks the most promising heuristic for each problem state, guided by the LLM's perception ability. For flexibility, this selector can be either a state-of-the-art LLM or a fine-tuned lightweight model with lower inference cost. To mitigate the scarcity of reliable supervision caused by CO complexity, we fine-tune the lightweight heuristic selector with a dual-reward mechanism that jointly exploits singals from selection preferences and state perception, enabling robust selection under noisy annotations. Extensive experiments on canonical benchmarks show that HeurAgenix not only outperforms existing LLM-based hyper-heuristics but also matches or exceeds specialized solvers. Code is available at https://github.com/microsoft/HeurAgenix.

Bilevel optimization has been recently revisited for designing and analyzing algorithms in hyperparameter tuning and meta learning tasks. However, due to its nested structure, evaluating exact gradients for high-dimensional problems is computationally challenging. One heuristic to circumvent this difficulty is to use the approximate gradient given by performing truncated back-propagation through the iterative optimization procedure that solves the lower-level problem. Although promising empirical performance has been reported, its theoretical properties are still unclear. In this paper, we analyze the properties of this family of approximate gradients and establish sufficient conditions for convergence. We validate this on several hyperparameter tuning and meta learning tasks. We find that optimization with the approximate gradient computed using few-step back-propagation often performs comparably to optimization with the exact gradient, while requiring far less memory and half the computation time.

Agent skills provide a lightweight way to adapt LLM agents to specialized domains by storing reusable procedural knowledge in structured files. However, whether downloaded from third parties or self-generated, these skills are often unreliable, incomplete, or outdated. Existing skill-evolution methods often address these deficiencies through heuristic reflections without an explicit optimization formulation. In this paper, we propose SkillGrad, a gradient-descent-inspired framework for optimizing agent skills. SkillGrad treats the skill package as a structured parameter to optimize in a gradient descent fashion: task executions provide trajectory-level loss evidence, automatic diagnoses then provide text-based gradients that indicate the correction directions. To stabilize optimization across iterations, a momentum agent accumulates recurring diagnostic patterns into a persistent memory overlay. Finally, an LLM-based patcher executes the parameter update by applying layer-aware edits to the skill package. Evaluated on SpreadsheetBench Verified and WikiTableQuestions, SkillGrad consistently outperforms training-based skill evolution baselines across two backbone LLMs, improving over the strongest training-based baseline by 6.7 percentage points on average. Ablations further show that momentum and contrastive diagnosis both contribute to the final skill quality.

Large Language Models (LLMs) have shown strong reasoning capabilities, with models like OpenAI's O-series and DeepSeek R1 excelling at tasks such as mathematics, coding, logic, and puzzles through Reinforcement Learning with Verifiable Rewards (RLVR). However, their ability to solve more complex optimization problems - particularly NP-hard tasks - remains underexplored. To bridge this gap, we propose NP-ENGINE, the first comprehensive framework for training and evaluating LLMs on NP-hard problems. NP-ENGINE covers 10 tasks across five domains, each equipped with (i) a controllable instance generator, (ii) a rule-based verifier, and (iii) a heuristic solver that provides approximate optimal solutions as ground truth. This generator-verifier-heuristic pipeline enables scalable and verifiable RLVR training under hierarchical difficulties. We also introduce NP-BENCH, a benchmark derived from NP-ENGINE-DATA, specifically designed to evaluate LLMs' ability to tackle NP-hard level reasoning problems, focusing not only on feasibility but also on solution quality. Additionally, we present QWEN2.5-7B-NP, a model trained via zero-RLVR with curriculum learning on Qwen2.5-7B-Instruct, which significantly outperforms GPT-4o on NP-BENCH and achieves SOTA performance with the same model size. Beyond in-domain tasks, we demonstrate that RLVR training on NP-ENGINE-DATA enables strong out-of-domain (OOD) generalization to reasoning tasks (logic, puzzles, math, and knowledge), as well as non-reasoning tasks such as instruction following. We also observe a scaling trend: increasing task diversity improves OOD generalization. These findings suggest that task-rich RLVR training is a promising direction for advancing LLM's reasoning ability, revealing new insights into the scaling laws of RLVR.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

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.

Tackling complex optimization problems often relies on expert-designed heuristics, typically crafted through extensive trial and error. Recent advances demonstrate that large language models (LLMs), when integrated into well-designed evolutionary search frameworks, can autonomously discover high-performing heuristics at a fraction of the traditional cost. However, existing approaches predominantly rely on verbal guidance, i.e., manipulating the prompt generation process, to steer the evolution of heuristics, without adapting the underlying LLM. We propose a hybrid framework that combines verbal and numerical guidance, the latter achieved by fine-tuning the LLM via reinforcement learning based on the quality of generated heuristics. This joint optimization allows the LLM to co-evolve with the search process. Our method outperforms state-of-the-art (SOTA) baselines across various optimization tasks, running locally on a single 24GB GPU using a 7B model with INT4 quantization. It surpasses methods that rely solely on verbal guidance, even when those use significantly more powerful API-based models.

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

How have individuals of social animals in nature evolved to learn from each other, and what would be the optimal strategy for such learning in a specific environment? Here, we address both problems by employing a deep reinforcement learning model to optimize the social learning strategies (SLSs) of agents in a cooperative game in a multi-dimensional landscape. Throughout the training for maximizing the overall payoff, we find that the agent spontaneously learns various concepts of social learning, such as copying, focusing on frequent and well-performing neighbors, self-comparison, and the importance of balancing between individual and social learning, without any explicit guidance or prior knowledge about the system. The SLS from a fully trained agent outperforms all of the traditional, baseline SLSs in terms of mean payoff. We demonstrate the superior performance of the reinforcement learning agent in various environments, including temporally changing environments and real social networks, which also verifies the adaptability of our framework to different social settings.

Recent advances in reasoning with large language models (LLMs) have shown the effectiveness of Monte Carlo Tree Search (MCTS) for generating high-quality intermediate trajectories, particularly in math and symbolic domains. Inspired by this, we explore how MCTS-derived trajectories, traditionally used for training value or reward models, can be repurposed to improve policy optimization in preference-based reinforcement learning (RL). Specifically, we focus on Group Relative Policy Optimization (GRPO), a recent algorithm that enables preference-consistent policy learning without value networks. We propose a staged GRPO training paradigm where completions are derived from partially revealed MCTS rollouts, introducing a novel tree-structured setting for advantage estimation. This leads to a rich class of prefix-conditioned reward signals, which we analyze theoretically and empirically. Our initial results indicate that while structured advantage estimation can stabilize updates and better reflect compositional reasoning quality, challenges such as advantage saturation and reward signal collapse remain. We propose heuristic and statistical solutions to mitigate these issues and discuss open challenges for learning under staged or tree-like reward structures.

The efficiency of Bayesian optimization (BO) relies heavily on the choice of the Gaussian process (GP) kernel, which plays a central role in balancing exploration and exploitation under limited evaluation budgets. Traditional BO methods often rely on fixed or heuristic kernel selection strategies, which can result in slow convergence or suboptimal solutions when the chosen kernel is poorly suited to the underlying objective function. To address this limitation, we propose a freshly-baked Context-Aware Kernel Evolution (CAKE) to enhance BO with large language models (LLMs). Concretely, CAKE leverages LLMs as the crossover and mutation operators to adaptively generate and refine GP kernels based on the observed data throughout the optimization process. To maximize the power of CAKE, we further propose BIC-Acquisition Kernel Ranking (BAKER) to select the most effective kernel through balancing the model fit measured by the Bayesian information criterion (BIC) with the expected improvement at each iteration of BO. Extensive experiments demonstrate that our fresh CAKE-based BO method consistently outperforms established baselines across a range of real-world tasks, including hyperparameter optimization, controller tuning, and photonic chip design. Our code is publicly available at https://github.com/cake4bo/cake.

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their effectiveness in solving specific problems, with search strategies primarily guided by adaptive prompt designs. In this paper, through investigating the token-wise attribution of the prompts to LLM-generated algorithmic codes, we show that providing high-quality algorithmic code examples can substantially improve the performance of the LLM-driven optimization. Building upon this insight, we propose leveraging prior benchmark algorithms to guide LLM-driven optimization and demonstrate superior performance on two black-box optimization benchmarks: the pseudo-Boolean optimization suite (pbo) and the black-box optimization suite (bbob). Our findings highlight the value of integrating benchmarking studies to enhance both efficiency and robustness of the LLM-driven black-box optimization methods.

Recent advances in agentic Reinforcement Learning (RL) have substantially improved the multi-turn tool-use capabilities of large language model agents. However, most existing methods assign credit over coarse heuristic units, such as tool-call boundaries or fixed workflows, making it difficult to identify which intermediate decisions influence downstream outcomes. In this work, we study agentic RL from two perspectives: where to branch and how to assign credit after branching. Our pilot analysis shows that influential decision points are broadly distributed throughout the generated sequence rather than concentrated at tool calls, while token entropy alone does not reliably reflect their impact on final outcomes. Motivated by these observations, we propose Agentic Procedural Policy Optimization (APPO), which shifts branching and credit assignment from coarse interaction units to fine-grained decision points in the sequence. APPO selects branching locations using a Branching Score that combines token uncertainty with policy-induced likelihood gains of subsequent continuations, enabling more targeted exploration while filtering out spurious high-entropy positions. It further introduces procedure-level advantage scaling to better distribute credit across branched rollouts. Experiments on 13 benchmarks show that APPO consistently improves strong agentic RL baselines by nearly 4 points, while keeping efficient tool-calls and maintaining behavior interpretability.

Reinforcement learning (RL) has become a dominant paradigm for enhancing LLMs' reasoning capabilities. However, RL algorithms with PPO-Clip are inherently limited by exploration collapse. Subsequent works remain primarily heuristic and fail to identify the essential cause of PPO-Clip's failure. This work reveals the fundamental flaw of PPO-Clip: it implicitly measures policy discrepancy using Euclidean metric, which is theoretically inconsistent with the intrinsic geometry on the policy Riemannian manifold. This geometric mismatch results in overly conservative updates in low-probability regions while aggressive in high-probability regions, ultimately collapsing exploration. To correct this geometric flaw, we propose Riemannian Isometric Policy Optimization (RIPO), which guarantees isometric policy updates on the Riemannian manifold, effectively balancing exploration and exploitation. We further show that RIPO achieves a favorable bias-variance trade-off, which stabilizes optimization. Extensive experiments demonstrate that RIPO significantly surpasses existing LLM RL algorithms across seven competition-level benchmarks (up to 60% improvement over GRPO on AIME24).

Generative engines (GEs) are reshaping information access by replacing ranked links with citation-grounded answers, yet current Generative Engine Optimization (GEO) methods optimize each instance in isolation, unable to accumulate or transfer effective strategies across tasks and engines. We reframe GEO as a strategy learning problem and propose MAGEO, a multi-agent framework in which coordinated planning, editing, and fidelity-aware evaluation serve as the execution layer, while validated editing patterns are progressively distilled into reusable, engine-specific optimization skills. To enable controlled assessment, we introduce a Twin Branch Evaluation Protocol for causal attribution of content edits and DSV-CF, a dual-axis metric that unifies semantic visibility with attribution accuracy. We further release MSME-GEO-Bench, a multi-scenario, multi-engine benchmark grounded in real-world queries. Experiments on three mainstream engines show that MAGEO substantially outperforms heuristic baselines in both visibility and citation fidelity, with ablations confirming that engine-specific preference modeling and strategy reuse are central to these gains, suggesting a scalable learning-driven paradigm for trustworthy GEO. Code is available at https://github.com/Wu-beining/MAGEO

On-policy reinforcement learning (RL), particularly Proximal Policy Optimization (PPO) and Group Relative Policy Optimization (GRPO), has become the dominant paradigm for fine-tuning large language models (LLMs). While policy ratio clipping stabilizes training, this heuristic hard constraint incurs a fundamental cost: it indiscriminately truncates gradients from high-return yet high-divergence actions, suppressing rare but highly informative "eureka moments" in complex reasoning. Moreover, once data becomes slightly stale, hard clipping renders it unusable, leading to severe sample inefficiency. In this work, we revisit the trust-region objective in policy optimization and show that explicitly constraining the variance (second central moment) of the policy ratio provides a principled and smooth relaxation of hard clipping. This distributional constraint stabilizes policy updates while preserving gradient signals from valuable trajectories. Building on this insight, we propose R^2VPO (Ratio-Variance Regularized Policy Optimization), a novel primal-dual framework that supports stable on-policy learning and enables principled off-policy data reuse by dynamically reweighting stale samples rather than discarding them. We extensively evaluate R^2VPO on fine-tuning state-of-the-art LLMs, including DeepSeek-Distill-Qwen-1.5B and the openPangu-Embedded series (1B and 7B), across challenging mathematical reasoning benchmarks. Experimental results show that R^2VPO consistently achieves superior asymptotic performance, with average relative gains of up to 17% over strong clipping-based baselines, while requiring approximately 50% fewer rollouts to reach convergence. These findings establish ratio-variance control as a promising direction for improving both stability and data efficiency in RL-based LLM alignment.

Optimizing data mixtures is essential for unlocking the full potential of large language models (LLMs), yet identifying the optimal composition remains computationally prohibitive due to reliance on heuristic trials or expensive proxy training. To address this, we introduce MergeMix, a novel approach that efficiently determines optimal data mixing ratios by repurposing model merging weights as a high-fidelity, low-cost performance proxy. By training domain-specific experts on minimal tokens and optimizing their merging weights against downstream benchmarks, MergeMix effectively optimizes the performance of data mixtures without incurring the cost of full-scale training. Extensive experiments on models with 8B and 16B parameters validate that MergeMix achieves performance comparable to or surpassing exhaustive manual tuning while drastically reducing search costs. Furthermore, MergeMix exhibits high rank consistency (Spearman ρ> 0.9) and strong cross-scale transferability, offering a scalable, automated solution for data mixture optimization.

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic heuristic generation, redundant evaluations, and limited reasoning about how new heuristics should be derived. We propose a novel multi-agent reasoning framework, referred to as Planning through World Model for Automated Heuristic Design via Self-Evolving LLMs (PathWise), which formulates heuristic generation as a sequential decision process over an entailment graph serving as a compact, stateful memory of the search trajectory. This approach allows the system to carry forward past decisions and reuse or avoid derivation information across generations. A policy agent plans evolutionary actions, a world model agent generates heuristic rollouts conditioned on those actions, and critic agents provide routed reflections summarizing lessons from prior steps, shifting LLM-based AHD from trial-and-error evolution toward state-aware planning through reasoning. Experiments across diverse COPs show that PathWise converges faster to better heuristics, generalizes across different LLM backbones, and scales to larger problem sizes.

Large language model (LLM) agents have demonstrated impressive capabilities in utilizing external tools and knowledge to boost accuracy and reduce hallucinations. However, developing prompting techniques that enable LLM agents to effectively use these tools and knowledge remains a heuristic and labor-intensive task. Here, we introduce AvaTaR, a novel and automated framework that optimizes an LLM agent to effectively leverage provided tools, improving performance on a given task. During optimization, we design a comparator module to iteratively deliver insightful and comprehensive prompts to the LLM agent by contrastively reasoning between positive and negative examples sampled from training data. We demonstrate AvaTaR on four complex multimodal retrieval datasets featuring textual, visual, and relational information, and three general question-answering (QA) datasets. We find AvaTaR consistently outperforms state-of-the-art approaches across all seven tasks, exhibiting strong generalization ability when applied to novel cases and achieving an average relative improvement of 14% on the Hit@1 metric for the retrieval datasets and 13% for the QA datasets. Code and dataset are available at https://github.com/zou-group/avatar.

Automatic software system optimization can improve software speed, reduce operating costs, and save energy. Traditional approaches to optimization rely on manual tuning and compiler heuristics, limiting their ability to generalize across diverse codebases and system contexts. Recent methods using Large Language Models (LLMs) offer automation to address these limitations, but often fail to scale to the complexity of real-world software systems and applications. We present SysLLMatic, a system that integrates LLMs with profiling-guided feedback and system performance insights to automatically optimize software code. We evaluate it on three benchmark suites: HumanEval_CPP (competitive programming in C++), SciMark2 (scientific kernels in Java), and DaCapoBench (large-scale software systems in Java). Results show that SysLLMatic can improve system performance, including latency, throughput, energy efficiency, memory usage, and CPU utilization. It consistently outperforms state-of-the-art LLM baselines on microbenchmarks. On large-scale application codes, it surpasses traditional compiler optimizations, achieving average relative improvements of 1.85x in latency and 2.24x in throughput. Our findings demonstrate that LLMs, guided by principled systems thinking and appropriate performance diagnostics, can serve as viable software system optimizers. We further identify limitations of our approach and the challenges involved in handling complex applications. This work provides a foundation for generating optimized code across various languages, benchmarks, and program sizes in a principled manner.

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the ALE Agent for competitive programming on AtCoder Heuristic Contest, achieving a 13.6% improvement in acceptance rate; the Mini-SWE Agent for code optimization on SWE-Perf, with a statistically significant 10.1\% performance gain; and the CrewAI Agent for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant 36.9% reduction in the number of tokens required for evaluation. We also evaluate the MathTales-Teacher Agent powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a 22\% accuracy improvement and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

Global placement is a critical step with high computational complexity in VLSI physical design. Modern analytical placers formulate the placement problem as a nonlinear optimization, where initialization strongly affects both convergence behavior and final placement quality. However, existing initialization methods exhibit a trade-off: area-aware initializers account for cell areas but are computationally expensive and can dominate total runtime, while fast point-based initializers ignore cell area, leading to a modeling gap that impairs convergence and solution quality. We propose a lightweight co-optimization framework that bridges this initialization gap through two strategies. First, an area-hint refinement initializer incorporates heuristic cell area information into a signed graph signal by augmenting the netlist graph with virtual nodes and negative-weight edges, yielding an area-aware and spectrally smooth placement initialization. Second, a macro-schedule placement procedure progressively restores area constraints, enabling a smooth transition from the refined initializer to the full area-aware objective and producing high-quality placement results. We evaluate the framework on macro-heavy ISPD2005 academic benchmarks and two real-world industrial designs across two technology nodes (12 cases in total). Experimental results show that our method consistently improves half-perimeter wirelength (HPWL) over point-based initializers in 11 out of 12 cases, achieving up to 2.2% HPWL reduction, while running approximately 100 times faster than the state-of-the-art area-aware initializer.

Combinatorial optimization finds an optimal solution within a discrete set of variables and constraints. The field has seen tremendous progress both in research and industry. With the success of deep learning in the past decade, a recent trend in combinatorial optimization has been to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning (ML) models. In this paper, we investigate two essential aspects of machine learning algorithms for combinatorial optimization: temporal characteristics and attention. We argue that for the task of variable selection in the branch-and-bound (B&B) algorithm, incorporating the temporal information as well as the bipartite graph attention improves the solver's performance. We support our claims with intuitions and numerical results over several standard datasets used in the literature and competitions. Code is available at: https://developer.huaweicloud.com/develop/aigallery/notebook/detail?id=047c6cf2-8463-40d7-b92f-7b2ca998e935

In neural combinatorial optimization (CO), reinforcement learning (RL) can turn a deep neural net into a fast, powerful heuristic solver of NP-hard problems. This approach has a great potential in practical applications because it allows near-optimal solutions to be found without expert guides armed with substantial domain knowledge. We introduce Policy Optimization with Multiple Optima (POMO), an end-to-end approach for building such a heuristic solver. POMO is applicable to a wide range of CO problems. It is designed to exploit the symmetries in the representation of a CO solution. POMO uses a modified REINFORCE algorithm that forces diverse rollouts towards all optimal solutions. Empirically, the low-variance baseline of POMO makes RL training fast and stable, and it is more resistant to local minima compared to previous approaches. We also introduce a new augmentation-based inference method, which accompanies POMO nicely. We demonstrate the effectiveness of POMO by solving three popular NP-hard problems, namely, traveling salesman (TSP), capacitated vehicle routing (CVRP), and 0-1 knapsack (KP). For all three, our solver based on POMO shows a significant improvement in performance over all recent learned heuristics. In particular, we achieve the optimality gap of 0.14% with TSP100 while reducing inference time by more than an order of magnitude.

Cost-aware routing dynamically dispatches user queries to models of varying capability to balance performance and inference cost. However, the routing strategy introduces a new security concern that adversaries may manipulate the router to consistently select expensive high-capability models. Existing routing attacks depend on either white-box access or heuristic prompts, rendering them ineffective in real-world black-box scenarios. In this work, we propose R^2A, which aims to mislead black-box LLM routers to expensive models via adversarial suffix optimization. Specifically, R^2A deploys a hybrid ensemble surrogate router to mimic the black-box router. A suffix optimization algorithm is further adapted for the ensemble-based surrogate. Extensive experiments on multiple open-source and commercial routing systems demonstrate that {R^2A} significantly increases the routing rate to expensive models on queries of different distributions. Code and examples: https://github.com/thcxiker/R2A-Attack.

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

Modern VLSI designs comprise tens of billions of components, making scalable hypergraph partitioning critical for parallel and hierarchical optimization. Although multilevel partitioning remains the dominant paradigm, its coarsening stage can distort structural information, especially in hypergraphs with many high-degree hyperedges, leading to increased refinement overhead and limited scalability. Recent approaches incorporate spectral information to guide coarsening, but only in a heuristic manner, without directly optimizing the partitioning objectives. We introduce HySpecPro, a single-level hypergraph partitioner that performs end-to-end optimization in a spectral embedding space. HySpecPro constructs embeddings from a bipartite Laplacian and performs efficient projection-based search, supported by a fully GPU-accelerated implementation. Experiments show that HySpecPro delivers cut quality comparable to state-of-the-art multilevel methods while scaling linearly with the total hyperedge degree.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting the search space to fixed heuristic forms. Such designs offer limited capacity for structural exploration, making it difficult to escape deep local optima in complex Combinatorial Optimization Problems (COPs). In this work, we propose G-LNS, a generative evolutionary framework that extends LLM-based AHD to the automated design of Large Neighborhood Search (LNS) operators. Unlike prior methods that evolve heuristics in isolation, G-LNS leverages LLMs to co-evolve tightly coupled pairs of destroy and repair operators. A cooperative evaluation mechanism explicitly captures their interaction, enabling the discovery of complementary operator logic that jointly performs effective structural disruption and reconstruction. Extensive experiments on challenging COP benchmarks, such as Traveling Salesman Problems (TSP) and Capacitated Vehicle Routing Problems (CVRP), demonstrate that G-LNS significantly outperforms LLM-based AHD methods as well as strong classical solvers. The discovered heuristics not only achieve near-optimal solutions with reduced computational budgets but also exhibit robust generalization across diverse and unseen instance distributions.

Mobile robots are increasingly required to navigate and interact within unknown and unstructured environments to meet human demands. Demand-driven navigation (DDN) enables robots to identify and locate objects based on implicit human intent, even when object locations are unknown. However, traditional data-driven DDN methods rely on pre-collected data for model training and decision-making, limiting their generalization capability in unseen scenarios. In this paper, we propose CogDDN, a VLM-based framework that emulates the human cognitive and learning mechanisms by integrating fast and slow thinking systems and selectively identifying key objects essential to fulfilling user demands. CogDDN identifies appropriate target objects by semantically aligning detected objects with the given instructions. Furthermore, it incorporates a dual-process decision-making module, comprising a Heuristic Process for rapid, efficient decisions and an Analytic Process that analyzes past errors, accumulates them in a knowledge base, and continuously improves performance. Chain of Thought (CoT) reasoning strengthens the decision-making process. Extensive closed-loop evaluations on the AI2Thor simulator with the ProcThor dataset show that CogDDN outperforms single-view camera-only methods by 15%, demonstrating significant improvements in navigation accuracy and adaptability. The project page is available at https://yuehaohuang.github.io/CogDDN/.

We study the problem of constructing Steiner Minimal Trees (SMTs) in hyperbolic space. Exact SMT computation is NP-hard, and existing hyperbolic heuristics such as HyperSteiner are deterministic and often get trapped in locally suboptimal configurations. We introduce Randomized HyperSteiner (RHS), a stochastic Delaunay triangulation heuristic that incorporates randomness into the expansion process and refines candidate trees via Riemannian gradient descent optimization. Experiments on synthetic data sets and a real-world single-cell transcriptomic data show that RHS outperforms Minimum Spanning Tree (MST), Neighbour Joining, and vanilla HyperSteiner (HS). In near-boundary configurations, RHS can achieve a 32% reduction in total length over HS, demonstrating its effectiveness and robustness in diverse data regimes.

Determining the optimal data mixture for large language model training remains a challenging problem with an outsized impact on performance. In practice, language model developers continue to rely on heuristic exploration since no learning-based approach has emerged as a reliable solution. In this work, we propose to view the selection of training data mixtures as a black-box hyperparameter optimization problem, for which Bayesian Optimization is a well-established class of appropriate algorithms. Firstly, we cast data mixture learning as a sequential decision-making problem, in which we aim to find a suitable trade-off between the computational cost of training exploratory (proxy-) models and final mixture performance. Secondly, we systematically explore the properties of transferring mixtures learned at a small scale to larger-scale experiments, providing insights and highlighting opportunities for research at a modest scale. By proposing Multi-fidelity Bayesian Optimization as a suitable method in this common scenario, we introduce a natural framework to balance experiment cost with model fit, avoiding the risks of overfitting to smaller scales while minimizing the number of experiments at high cost. We present results for pre-training and instruction finetuning across models ranging from 1 million to 7 billion parameters, varying from simple architectures to state-of-the-art models and benchmarks spanning dozens of datasets. We demonstrate consistently strong results relative to a wide range of baselines, resulting inspeed-ups of over 500% in determining the best data mixture on our largest experiments. In addition, we broaden access to research by sharing ADMIRE IFT Runs, a dataset of 460 full training & evaluation runs worth over 13,000 GPU hours, greatly reducing the cost of conducting research in this area.

Large language models (LLMs) are increasingly used for both open-ended and structured tasks, yet their inference-time behavior is still largely dictated by heuristic decoding strategies such as greedy search, sampling, or reranking. These methods provide limited control and do not explicitly optimize for task-specific objectives. We introduce MEMETRON, a task-agnostic framework that formulates LLM decoding as a discrete black-box optimization problem. MEMETRON leverages hybrid metaheuristic algorithms, GENETRON and ANNETRON, to search the response space, guided by reward models and contextual operations performed by the LLM itself. This approach enables efficient discovery of high-reward responses without requiring model retraining or gradient access. The framework is modular and generalizes across diverse tasks, requiring only a reward function and lightweight prompt templates. We evaluate our framework on the critical human preference alignment task and demonstrate that it significantly outperforms standard decoding and reranking methods, highlighting its potential to improve alignment without model retraining.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on closed-ended questions prone to saturation and memorization, or subjective comparisons that lack consistency and rigor. In this work, we introduce HeuriGym, an agentic framework designed for evaluating heuristic algorithms generated by LLMs for combinatorial optimization problems, characterized by clearly defined objectives and expansive solution spaces. HeuriGym empowers LLMs to propose heuristics, receive evaluative feedback via code execution, and iteratively refine their solutions. We evaluate nine state-of-the-art models on nine problems across domains such as computer systems, logistics, and biology, exposing persistent limitations in tool use, planning, and adaptive reasoning. To quantify performance, we propose the Quality-Yield Index (QYI), a metric that captures both solution pass rate and quality. Even top models like GPT-o4-mini-high and Gemini-2.5-Pro attain QYI scores of only 0.6, well below the expert baseline of 1. Our open-source benchmark aims to guide the development of LLMs toward more effective and realistic problem-solving in scientific and engineering domains.

Knowledge distillation with multiple teachers is increasingly used to improve robustness, efficiency, and safety, yet existing approaches rely largely on heuristic or implementation-specific weighting schemes. This paper develops an operator-agnostic axiomatic framework for adaptive weighting in multi-teacher knowledge distillation across three complementary scales: token, task, and context. We formalize structural conditions under which adaptive weighting operators are well-defined, admit multiple non-equivalent implementations, and can be hierarchically composed via product-structure normalization. Within this framework, we establish existence and non-uniqueness of conforming operators, characterize convergence of gradient-based optimization under standard assumptions, analyze stability and perturbation robustness, and provide an abstract formulation of safety-constrained distillation. The results decouple theoretical guarantees from specific weighting formulas, enabling principled analysis of adaptive distillation methods under heterogeneity, distribution shift, and safety constraints.

The advent of large language models (LLMs) has transformed information access and reasoning through open-ended natural language interaction. However, LLMs remain limited by static knowledge, factual hallucinations, and the inability to retrieve real-time or domain-specific information. Retrieval-Augmented Generation (RAG) mitigates these issues by grounding model outputs in external evidence, but traditional RAG pipelines are often single turn and heuristic, lacking adaptive control over retrieval and reasoning. Recent advances in agentic search address these limitations by enabling LLMs to plan, retrieve, and reflect through multi-step interaction with search environments. Within this paradigm, reinforcement learning (RL) offers a powerful mechanism for adaptive and self-improving search behavior. This survey provides the first comprehensive overview of RL-based agentic search, organizing the emerging field along three complementary dimensions: (i) What RL is for (functional roles), (ii) How RL is used (optimization strategies), and (iii) Where RL is applied (scope of optimization). We summarize representative methods, evaluation protocols, and applications, and discuss open challenges and future directions toward building reliable and scalable RL driven agentic search systems. We hope this survey will inspire future research on the integration of RL and agentic search. Our repository is available at https://github.com/ventr1c/Awesome-RL-based-Agentic-Search-Papers.

Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of applications, e.g., medical question-answering, mathematical sciences, and code generation. However, they also exhibit inherent limitations, such as outdated knowledge and susceptibility to hallucinations. Retrieval-Augmented Generation (RAG) has emerged as a promising paradigm to address these issues, but it also introduces new vulnerabilities. Recent efforts have focused on the security of RAG-based LLMs, yet existing attack methods face three critical challenges: (1) their effectiveness declines sharply when only a limited number of poisoned texts can be injected into the knowledge database, (2) they lack sufficient stealth, as the attacks are often detectable by anomaly detection systems, which compromises their effectiveness, and (3) they rely on heuristic approaches to generate poisoned texts, lacking formal optimization frameworks and theoretic guarantees, which limits their effectiveness and applicability. To address these issues, we propose coordinated Prompt-RAG attack (PR-attack), a novel optimization-driven attack that introduces a small number of poisoned texts into the knowledge database while embedding a backdoor trigger within the prompt. When activated, the trigger causes the LLM to generate pre-designed responses to targeted queries, while maintaining normal behavior in other contexts. This ensures both high effectiveness and stealth. We formulate the attack generation process as a bilevel optimization problem leveraging a principled optimization framework to develop optimal poisoned texts and triggers. Extensive experiments across diverse LLMs and datasets demonstrate the effectiveness of PR-Attack, achieving a high attack success rate even with a limited number of poisoned texts and significantly improved stealth compared to existing methods.

This paper aims to develop a novel cost-effective framework for face identification, which progressively maintains a batch of classifiers with the increasing face images of different individuals. By naturally combining two recently rising techniques: active learning (AL) and self-paced learning (SPL), our framework is capable of automatically annotating new instances and incorporating them into training under weak expert re-certification. We first initialize the classifier using a few annotated samples for each individual, and extract image features using the convolutional neural nets. Then, a number of candidates are selected from the unannotated samples for classifier updating, in which we apply the current classifiers ranking the samples by the prediction confidence. In particular, our approach utilizes the high-confidence and low-confidence samples in the self-paced and the active user-query way, respectively. The neural nets are later fine-tuned based on the updated classifiers. Such heuristic implementation is formulated as solving a concise active SPL optimization problem, which also advances the SPL development by supplementing a rational dynamic curriculum constraint. The new model finely accords with the "instructor-student-collaborative" learning mode in human education. The advantages of this proposed framework are two-folds: i) The required number of annotated samples is significantly decreased while the comparable performance is guaranteed. A dramatic reduction of user effort is also achieved over other state-of-the-art active learning techniques. ii) The mixture of SPL and AL effectively improves not only the classifier accuracy compared to existing AL/SPL methods but also the robustness against noisy data. We evaluate our framework on two challenging datasets, and demonstrate very promising results. (http://hcp.sysu.edu.cn/projects/aspl/)

In Retrieval-Augmented Generation applications, the Information Retrieval part is central as it provides the contextual information that enables a Large Language Model to generate an appropriate and truthful response. High quality parsing and chunking are critical as efficient data segmentation directly impacts downstream tasks, i.e. Information Retrieval and answer generation. In this paper, we introduce ChunkNorris, a novel heuristic-based technique designed to optimise the parsing and chunking of PDF documents. Our approach does not rely on machine learning and employs a suite of simple yet effective heuristics to achieve high performance with minimal computational overhead. We demonstrate the efficiency of ChunkNorris through a comprehensive benchmark against existing parsing and chunking methods, evaluating criteria such as execution time, energy consumption, and retrieval accuracy. We propose an open-access dataset to produce our results. ChunkNorris outperforms baseline and more advanced techniques, offering a practical and efficient alternative for Information Retrieval tasks. Therefore, this research highlights the potential of heuristic-based methods for real-world, resource-constrained RAG use cases.

The general capabilities of Large Language Models (LLM) highly rely on the composition and selection on extensive pretraining datasets, treated as commercial secrets by several institutions. To mitigate this issue, we open-source the details of a universally applicable data processing pipeline and validate its effectiveness and potential by introducing a competitive LLM baseline. Specifically, the data processing pipeline consists of broad collection to scale up and reweighting to improve quality. We then pretrain a 7B model BaichuanSEED with 3T tokens processed by our pipeline without any deliberate downstream task-related optimization, followed by an easy but effective supervised fine-tuning stage. BaichuanSEED demonstrates consistency and predictability throughout training and achieves comparable performance on comprehensive benchmarks with several commercial advanced large language models, such as Qwen1.5 and Llama3. We also conduct several heuristic experiments to discuss the potential for further optimization of downstream tasks, such as mathematics and coding.

Inventory-policy comparisons are often difficult to interpret because performance depends on the evaluation contract as much as on the policy itself. Differences in topology, demand regime, information access, feasibility constraints, shortage treatment, and Key Performance Indicator (KPI) definitions can change method rankings. We present gym-invmgmt, a Gymnasium-compatible extension of the OR-Gym inventory-management lineage for auditable cross-paradigm evaluation. The benchmark evaluates optimization, heuristic, and learned controllers under a shared CoreEnv transition, reward, action-bound, and KPI contract, while varying stress conditions through a 22-scenario core grid plus four supplemental MARL-mode rows. Within these released scenarios, informed stochastic programming provides the strongest non-oracle reference, reflecting the value of scenario hedging under forecast access, but at substantially higher online computational cost. Among learned controllers, the Proximal Policy Optimization Transformer variant (PPO-Transformer) achieves the strongest learned-policy quality at fast inference, while Residual Reinforcement Learning (Residual RL) provides competitive hybrid performance. The graph neural network variant (PPO-GNN) is highly competitive on the default divergent topology but less robust on the serial topology. Imitation learning performs well in stationary regimes but degrades under demand shift, and the bounded Large Language Model (LLM) policy-parameter baseline is best interpreted as a diagnostic controller rather than an autonomous inventory optimizer. Overall, the benchmark identifies scenario-conditioned leaders while showing that performance depends jointly on information access, demand shift, topology, and policy representation.

The learning rate warmup heuristic achieves remarkable success in stabilizing training, accelerating convergence and improving generalization for adaptive stochastic optimization algorithms like RMSprop and Adam. Here, we study its mechanism in details. Pursuing the theory behind warmup, we identify a problem of the adaptive learning rate (i.e., it has problematically large variance in the early stage), suggest warmup works as a variance reduction technique, and provide both empirical and theoretical evidence to verify our hypothesis. We further propose RAdam, a new variant of Adam, by introducing a term to rectify the variance of the adaptive learning rate. Extensive experimental results on image classification, language modeling, and neural machine translation verify our intuition and demonstrate the effectiveness and robustness of our proposed method. All implementations are available at: https://github.com/LiyuanLucasLiu/RAdam.

The performance of a Convolutional Neural Network (CNN) depends on its hyperparameters, like the number of layers, kernel sizes, or the learning rate for example. Especially in smaller networks and applications with limited computational resources, optimisation is key. We present a fast and efficient approach for CNN architecture selection. Taking into account time consumption, precision and robustness, we develop a heuristic to quickly and reliably assess a network's performance. In combination with Bayesian optimisation (BO), to effectively cover the vast parameter space, our contribution offers a plain and powerful architecture search for this machine learning technique.

Optical design is the process of configuring optical elements to precisely manipulate light for high-fidelity imaging. It is inherently a highly non-convex optimization problem that relies heavily on human heuristic expertise and domain-specific knowledge. While Large Language Models (LLMs) possess extensive optical knowledge, their capabilities in leveraging the knowledge in designing lens system remain significantly constrained. This work represents the first attempt to employ LLMs in the field of optical design. We bridge the expertise gap by enabling users without formal optical training to successfully develop functional lens systems. Concretely, we curate a comprehensive dataset, named OptiDesignQA, which encompasses both classical lens systems sourced from standard optical textbooks and novel configurations generated by automated design algorithms for training and evaluation. Furthermore, we inject domain-specific optical expertise into the LLM through a hybrid objective of full-system synthesis and lens completion. To align the model with optical principles, we employ Group Relative Policy Optimization Done Right (DrGRPO) guided by Optical Lexicographic Reward for physics-driven policy alignment. This reward system incorporates structural format rewards, physical feasibility rewards, light-manipulation accuracy, and LLM-based heuristics. Finally, our model integrates with specialized optical optimization routines for end-to-end fine-tuning and precision refinement. We benchmark our proposed method against both traditional optimization-based automated design algorithms and LLM counterparts, and experimental results show the superiority of our method.

Drone fleets with onboard cameras coupled with computer vision and DNN inferencing models can support diverse applications. One such novel domain is for one or more buddy drones to assist Visually Impaired People (VIPs) lead an active lifestyle. Video inferencing tasks from such drones can help both navigate the drone and provide situation awareness to the VIP, and hence have strict execution deadlines. We propose a deadline-driven heuristic, DEMS-A, to schedule diverse DNN tasks generated continuously to perform inferencing over video segments generated by multiple drones linked to an edge, with the option to execute on the cloud. We use strategies like task dropping, work stealing and migration, and dynamic adaptation to cloud variability, to guarantee a Quality of Service (QoS), i.e. maximize the utility and the number of tasks completed. We also introduce an additional Quality of Experience (QoE) metric useful to the assistive drone domain, which values the frequency of success for task types to ensure the responsiveness and reliability of the VIP application. We extend our DEMS solution to GEMS to solve this. We evaluate these strategies, using (i) an emulated setup of a fleet of over 80 drones supporting over 25 VIPs, with real DNN models executing on pre-recorded drone video streams, using Jetson Nano edges and AWS Lambda cloud functions, and (ii) a real-world setup of a Tello drone and a Jetson Orin Nano edge generating drone commands to follow a VIP in real-time. Our strategies present a task completion rate of up to 88%, up to 2.7x higher QoS utility compared to the baselines, a further 16% higher QoS utility while adapting to network variability, and up to 75% higher QoE utility. Our practical validation exhibits task completion of up to 87% for GEMS and 33% higher total utility of GEMS compared to edge-only.

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

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.

A flow control system is a critical concept for increasing the production capacity of manufacturing systems. To solve the scheduling optimization problem related to the flow control with the aim of improving productivity, existing methods depend on a heuristic design by domain human experts. Therefore, the methods require correction, monitoring, and verification by using real equipment. As system designs increase in complexity, the monitoring time increases, which decreases the probability of arriving at the optimal design. As an alternative approach to the heuristic design of flow control systems, the use of deep reinforcement learning to solve the scheduling optimization problem has been considered. Although the existing research on reinforcement learning has yielded excellent performance in some areas, the applicability of the results to actual FAB such as display and semiconductor manufacturing processes is not evident so far. To this end, we propose a method to implement a physical simulation environment and devise a feasible flow control system design using a transfer robot in display manufacturing through reinforcement learning. We present a model and parameter setting to build a virtual environment for different display transfer robots, and training methods of reinforcement learning on the environment to obtain an optimal scheduling of glass flow control systems. Its feasibility was verified by using different types of robots used in the actual process.

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

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.

Quantization emerges as one of the most promising compression technologies for deploying efficient large models for various real time application in recent years. Considering that the storage and IO of weights take up the vast majority of the overhead inside a large model, weight only quantization can lead to large gains. However, existing quantization schemes suffer from significant accuracy degradation at very low bits, or require some additional computational overhead when deployed, making it difficult to be applied to large-scale applications in industry. In this paper, we propose decoupleQ, achieving a substantial increase in model accuracy, especially at very low bits. decoupleQ abandons the traditional heuristic quantization paradigm and decouples the model parameters into integer and floating-point parts, thus transforming the quantization problem into a traditional mathematical optimization problem with constraints, which is then solved alternatively by off-the-shelf optimization methods. Quantization via decoupleQ is linear and uniform, making it hardware-friendlier than non-uniform counterpart, and enabling the idea to be migrated to high-bit quantization to enhance its robustness. Our method has achieved well on-line accuracy near fp16/bf16 on the 2-bit quantization of large speech models in ByteDance. The code is available at https://github.com/bytedance/decoupleQ

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

While large and diverse datasets have driven recent advances in large models, identifying the optimal data mixture for pre-training and post-training remains a significant open problem. We address this challenge with FASTMIX, a novel framework that automates data mixture discovery while training only a single proxy model. Instead of relying on predefined heuristics or resource-intensive simulations, FASTMIX jointly optimizes mixture coefficients and model parameters, substantially improving efficiency and scalability over prior approaches. At the core of FASTMIX is a reformulation of mixture selection as a bilevel optimization problem. Under this reformulation, we show that optimizing mixture ratios is mathematically equivalent to assigning per-source loss weights under uniform source sampling. This embeds the mixture coefficients directly into the differentiable iterative optimization objective, enabling efficient, gradient-based optimization of both mixture and model. To solve the optimization problem, FASTMIX implements an approximate iterative optimization procedure, alternating between (i) updating model parameters on data sampled according to current mixture ratios (inner loop) and (ii) updating mixture ratios based on validation feedback (outer loop). Across pre- and post-training, FASTMIX outperforms baselines while drastically reducing search cost. Code (https://github.com/hrtan/fastmix)

Estimating motion in videos is an essential computer vision problem with many downstream applications, including controllable video generation and robotics. Current solutions are primarily trained using synthetic data or require tuning of situation-specific heuristics, which inherently limits these models' capabilities in real-world contexts. Despite recent developments in large-scale self-supervised learning from videos, leveraging such representations for motion estimation remains relatively underexplored. In this work, we develop Opt-CWM, a self-supervised technique for flow and occlusion estimation from a pre-trained next-frame prediction model. Opt-CWM works by learning to optimize counterfactual probes that extract motion information from a base video model, avoiding the need for fixed heuristics while training on unrestricted video inputs. We achieve state-of-the-art performance for motion estimation on real-world videos while requiring no labeled data.

Cortical visual prostheses aim to restore sight by electrically stimulating neurons in early visual cortex (V1). With the emergence of high-density and flexible neural interfaces, electrode placement within three-dimensional cortex has become a critical surgical planning problem. Existing strategies emphasize visual field coverage and anatomical heuristics but do not directly optimize predicted perceptual outcomes under safety constraints. We present a percept-aware framework for surgical planning of cortical visual prostheses that formulates electrode placement as a constrained optimization problem in anatomical space. Electrode coordinates are treated as learnable parameters and optimized end-to-end using a differentiable forward model of prosthetic vision. The objective minimizes task-level perceptual error while incorporating vascular avoidance and gray matter feasibility constraints. Evaluated on simulated reading and natural image tasks using realistic folded cortical geometry (FreeSurfer fsaverage), percept-aware optimization consistently improves reconstruction fidelity relative to coverage-based placement strategies. Importantly, vascular safety constraints eliminate margin violations while preserving perceptual performance. The framework further enables co-optimization of multi-electrode thread configurations under fixed insertion budgets. These results demonstrate how differentiable percept models can inform anatomically grounded, safety-aware computer-assisted planning for cortical neural interfaces and provide a foundation for optimizing next-generation visual prostheses.

Safety alignment is critical for the responsible deployment of large language models (LLMs). As Mixture-of-Experts (MoE) architectures are increasingly adopted to scale model capacity, understanding their safety robustness becomes essential. Existing adversarial attacks, however, have notable limitations. Prompt-based jailbreaks rely on heuristic search and transfer poorly, model intervention methods require privileged access to internal representations, and optimization-based input attacks remain output-centric and are fundamentally limited to MoE models due to the non-differentiable routing mechanism. In this paper, we present RouteHijack, a routing-aware jailbreak for MoE LLMs. Our key insight is that safety behavior is concentrated in a small subset of experts, creating an opportunity to steer model behavior by influencing routing decisions through input optimization. Building on this observation, RouteHijack first performs response-driven expert localization to identify safety-critical and harmful experts by contrasting activations under safe refusals and harmful completions. It then constructs adversarial suffixes with a routing-aware objective that suppresses safety experts, promotes harmful experts, and prevents early-stage refusal during generation. At inference time, the optimized suffix is appended to a malicious prompt, requiring only input access. Across seven MoE LLMs, RouteHijack achieves a 69.3\% average attack success rate (ASR), outperforming prior optimization-based attack by 3.2times. RouteHijack also transfers zero-shot across five sibling MoE variants, raising average ASR from 27.7\% to 61.2\%, and further generalizes to three MoE-based VLMs, increasing average ASR from 2.47\% to 38.7\%. These findings expose a fundamental vulnerability in sparse expert architectures and highlight the need for defenses beyond output-level alignment.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

While Large Language Models (LLMs) have achieved remarkable performance, they remain vulnerable to jailbreak attacks that circumvent safety constraints. Existing strategies, ranging from heuristic prompt engineering to computationally intensive optimization, often face significant trade-offs between effectiveness and efficiency. In this work, we propose Contextual Representation Ablation (CRA), a novel inference-time intervention framework designed to dynamically silence model guardrails. Predicated on the geometric insight that refusal behaviors are mediated by specific low-rank subspaces within the model's hidden states, CRA identifies and suppresses these refusal-inducing activation patterns during decoding without requiring expensive parameter updates or training. Empirical evaluation across multiple safety-aligned open-source LLMs demonstrates that CRA significantly outperforms baselines. These results expose the intrinsic fragility of current alignment mechanisms, revealing that safety constraints can be surgically ablated from internal representations, and underscore the urgent need for more robust defenses that secure the model's latent space.

QUBO formulations of combinatorial optimization problems allow for solving them using various quantum heuristics. While large-scale quantum computations are currently still out of reach, we can already numerically test such QUBO formulations on a perhaps surprisingly large scale. In this work, we benchmark Fujitsu's Digital Annealer (DA) on the Max-Cut problem, which captures the main complexity of the QUBO problem. We make a comprehensive benchmark against leading other heuristic algorithms on graphs with up to 53,000 variables by focusing on the wall-clock time. Moreover, we compare the DA performance against published performance results of the D-Wave hybrid quantum-classical annealer and the recently proposed QIS3 heuristic. Based on performance statistics for over 2,000 graphs from the MQLib, we find that the DA yields competitive results. We hope that this benchmark demonstrates the extent to which large QUBO instances can be heuristically solved today, yielding consistent results across different solvers.

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in cases where reward functions are non-differentiable. Some gradient-free guidance methods have been developed, but they often struggle to achieve optimal inference-time alignment. In this work, we newly frame inference-time alignment in diffusion as a search problem and propose Dynamic Search for Diffusion (DSearch), which subsamples from denoising processes and approximates intermediate node rewards. It also dynamically adjusts beam width and tree expansion to efficiently explore high-reward generations. To refine intermediate decisions, DSearch incorporates adaptive scheduling based on noise levels and a lookahead heuristic function. We validate DSearch across multiple domains, including biological sequence design, molecular optimization, and image generation, demonstrating superior reward optimization compared to existing approaches.

In practical reinforcement learning (RL), the discount factor used for estimating value functions often differs from that used for defining the evaluation objective. In this work, we study the effect that this discrepancy of discount factors has during learning, and discover a family of objectives that interpolate value functions of two distinct discount factors. Our analysis suggests new ways for estimating value functions and performing policy optimization updates, which demonstrate empirical performance gains. This framework also leads to new insights on commonly-used deep RL heuristic modifications to policy optimization algorithms.

There has been a large literature of neural architecture search, but most existing work made use of heuristic rules that largely constrained the search flexibility. In this paper, we first relax these manually designed constraints and enlarge the search space to contain more than 10^{160} candidates. In the new space, most existing differentiable search methods can fail dramatically. We then propose a novel algorithm named Gradual One-Level Differentiable Neural Architecture Search (GOLD-NAS) which introduces a variable resource constraint to one-level optimization so that the weak operators are gradually pruned out from the super-network. In standard image classification benchmarks, GOLD-NAS can find a series of Pareto-optimal architectures within a single search procedure. Most of the discovered architectures were never studied before, yet they achieve a nice tradeoff between recognition accuracy and model complexity. We believe the new space and search algorithm can advance the search of differentiable NAS.