Daily Papers

Large language models (LLMs) have shown exceptional performance and vast potential across diverse tasks. However, the deployment of LLMs with high performance in low-resource environments has garnered significant attention in the industry. When GPU hardware resources are limited, we can explore alternative options on CPUs. To mitigate the financial burden and alleviate constraints imposed by hardware resources, optimizing inference performance is necessary. In this paper, we introduce an easily deployable inference performance optimization solution aimed at accelerating LLMs on CPUs. In this solution, we implement an effective way to reduce the KV cache size while ensuring precision. We propose a distributed inference optimization approach and implement it based on oneAPI Collective Communications Library. Furthermore, we propose optimization approaches for LLMs on CPU, and conduct tailored optimizations for the most commonly used models. The code is open-sourced at https://github.com/intel/xFasterTransformer.

In recent years, the rapid advancement of large-scale pre-trained language models based on transformer architectures has revolutionized natural language processing tasks. Among these, ChatGPT has gained widespread popularity, demonstrating human-level conversational abilities and attracting over 100 million monthly users by late 2022. Concurrently, Baidu's commercial deployment of the Ernie Wenxin model has significantly enhanced marketing effectiveness through AI-driven technologies. This paper focuses on optimizing high-performance inference for Ernie models, emphasizing GPU acceleration and leveraging the Paddle inference framework. We employ techniques such as Faster Transformer for efficient model processing, embedding layer pruning to reduce computational overhead, and FP16 half-precision inference for enhanced computational efficiency. Additionally, our approach integrates efficient data handling strategies using multi-process parallel processing to minimize latency. Experimental results demonstrate that our optimized solution achieves up to an 8.96x improvement in inference speed compared to standard methods, while maintaining competitive performance.

The AIPC concept is gaining popularity, and more and more hybrid CPUs will be running AI models on client devices. However, the current AI inference framework overlooks the imbalanced hardware capability of hybrid CPUs, leading to low inference performance. To address this issue, we have introduced a dynamic parallel method for hybrid CPUs, which significantly increases LLM inference performance by balancing the workload for each core of a hybrid CPU before the parallel work starts. This method has enabled Neural Speed to achieve more than 90% (on average) of memory bandwidth on two hybrid Intel CPUs.

The Stable Diffusion Model (SDM) is a popular and efficient text-to-image (t2i) generation and image-to-image (i2i) generation model. Although there have been some attempts to reduce sampling steps, model distillation, and network quantization, these previous methods generally retain the original network architecture. Billion scale parameters and high computing requirements make the research of model architecture adjustment scarce. In this work, we first explore the computational redundancy part of the network, and then prune the redundancy blocks of the model and maintain the network performance through a progressive incubation strategy. Secondly, in order to maintaining the model performance, we add cross-layer multi-expert conditional convolution (CLME-Condconv) to the block pruning part to inherit the original convolution parameters. Thirdly, we propose a global-regional interactive (GRI) attention to speed up the computationally intensive attention part. Finally, we use semantic-aware supervision (SAS) to align the outputs of the teacher model and student model at the semantic level. Experiments show that this method can effectively train a lightweight model close to the performance of the original SD model, and effectively improve the model speed under limited resources. Experiments show that the proposed method can effectively train a light-weight model close to the performance of the original SD model, and effectively improve the model speed under limited resources. After acceleration, the UNet part of the model is 22% faster and the overall speed is 19% faster.

Code performance optimization is paramount in real-world software engineering and critical for production-level systems. While Large Language Models (LLMs) have demonstrated impressive capabilities in code generation and bug fixing, their proficiency in enhancing code performance at the repository level remains largely unexplored. To address this gap, we introduce SWE-Perf, the first benchmark specifically designed to systematically evaluate LLMs on code performance optimization tasks within authentic repository contexts. SWE-Perf comprises 140 carefully curated instances, each derived from performance-improving pull requests from popular GitHub repositories. Each benchmark instance includes the relevant codebase, target functions, performance-related tests, expert-authored patches, and executable environments. Through a comprehensive evaluation of representative methods that span file-level and repo-level approaches (e.g., Agentless and OpenHands), we reveal a substantial capability gap between existing LLMs and expert-level optimization performance, highlighting critical research opportunities in this emerging field.

Pre-training models are an important tool in Natural Language Processing (NLP), while the BERT model is a classic pre-training model whose structure has been widely adopted by followers. It was even chosen as the reference model for the MLPerf training benchmark. The distributed training performance optimization of BERT models plays an important role in accelerating the solutions of most NLP tasks. BERT model often uses padding tensors as its inputs, leading to excessive redundant computations. Thus, removing these redundant computations is essential to improve the distributed training performance. This paper designs a new approach to train BERT models with variable-length inputs efficiently. Firstly, we propose a general structure for the variable-length BERT models, and accelerate the encoder layer via our grouped multi-stream FMHA (Fused Multi-Head Attention) method. Secondly, through data exchange, we address the unbalanced workload problem caused by the variable-length inputs, which overlaps highly with the training process. Finally, we optimize the overall performance of the BERT model, such as kernel fusion, and operator optimization. Our experimental results show that our highly optimized BERT model achieves state-of-the-art throughput and ranks first in MLPerf Training v2.0 within the same GPU configuration. The optimizations in this paper can be applied to more BERT-like models in our future works.

Extending pre-trained Large Language Models (LLMs)'s speech understanding or generation abilities by introducing various effective speech tokens has attracted great attention in the speech community. However, building a unified speech understanding and generation model still faces the following challenges: (1) Due to the huge modality gap between speech tokens and text tokens, extending text LLMs to unified speech LLMs relies on large-scale paired data for fine-tuning, and (2) Generation and understanding tasks prefer information at different levels, e.g., generation benefits from detailed acoustic features, while understanding favors high-level semantics. This divergence leads to difficult performance optimization in one unified model. To solve these challenges, in this paper, we present two key insights in speech tokenization and speech language modeling. Specifically, we first propose an Understanding-driven Speech Tokenizer (USTokenizer), which extracts high-level semantic information essential for accomplishing understanding tasks using text LLMs. In this way, USToken enjoys better modality commonality with text, which reduces the difficulty of modality alignment in adapting text LLMs to speech LLMs. Secondly, we present DualSpeechLM, a dual-token modeling framework that concurrently models USToken as input and acoustic token as output within a unified, end-to-end framework, seamlessly integrating speech understanding and generation capabilities. Furthermore, we propose a novel semantic supervision loss and a Chain-of-Condition (CoC) strategy to stabilize model training and enhance speech generation performance. Experimental results demonstrate that our proposed approach effectively fosters a complementary relationship between understanding and generation tasks, highlighting the promising strategy of mutually enhancing both tasks in one unified model.

Optimizing the performance of large-scale software repositories demands expertise in code reasoning and software engineering (SWE) to reduce runtime while preserving program correctness. However, most benchmarks emphasize what to fix rather than how to fix code. We introduce SWE-fficiency, a benchmark for evaluating repository-level performance optimization on real workloads. Our suite contains 498 tasks across nine widely used data-science, machine-learning, and HPC repositories (e.g., numpy, pandas, scipy): given a complete codebase and a slow workload, an agent must investigate code semantics, localize bottlenecks and relevant tests, and produce a patch that matches or exceeds expert speedup while passing the same unit tests. To enable this how-to-fix evaluation, our automated pipeline scrapes GitHub pull requests for performance-improving edits, combining keyword filtering, static analysis, coverage tooling, and execution validation to both confirm expert speedup baselines and identify relevant repository unit tests. Empirical evaluation of state-of-the-art agents reveals significant underperformance. On average, agents achieve less than 0.15x the expert speedup: agents struggle in localizing optimization opportunities, reasoning about execution across functions, and maintaining correctness in proposed edits. We release the benchmark and accompanying data pipeline to facilitate research on automated performance engineering and long-horizon software reasoning.

Retrieval-Augmented Generation (RAG) has quickly grown into a pivotal paradigm in the development of Large Language Models (LLMs). While much of the current research in this field focuses on performance optimization, particularly in terms of accuracy and efficiency, the trustworthiness of RAG systems remains an area still under exploration. From a positive perspective, RAG systems are promising to enhance LLMs by providing them with useful and up-to-date knowledge from vast external databases, thereby mitigating the long-standing problem of hallucination. While from a negative perspective, RAG systems are at the risk of generating undesirable contents if the retrieved information is either inappropriate or poorly utilized. To address these concerns, we propose a unified framework that assesses the trustworthiness of RAG systems across six key dimensions: factuality, robustness, fairness, transparency, accountability, and privacy. Within this framework, we thoroughly review the existing literature on each dimension. Additionally, we create the evaluation benchmark regarding the six dimensions and conduct comprehensive evaluations for a variety of proprietary and open-source models. Finally, we identify the potential challenges for future research based on our investigation results. Through this work, we aim to lay a structured foundation for future investigations and provide practical insights for enhancing the trustworthiness of RAG systems in real-world applications.

This work introduces EE-Tuning, a lightweight and economical solution to training/tuning early-exit large language models (LLMs). In contrast to the common approach of full-parameter pre-training, EE-Tuning augments any pre-trained (and possibly fine-tuned) standard LLM with additional early-exit layers that are tuned in a parameter-efficient manner, which requires significantly less computational resources and training data. Our implementation of EE-Tuning achieves outstanding training efficiency via extensive performance optimizations, as well as scalability due to its full compatibility with 3D parallelism. Results of systematic experiments validate the efficacy of EE-Tuning, confirming that effective early-exit LLM inference can be achieved with a limited training budget. In hope of making early-exit LLMs accessible to the community, we release the source code of our implementation of EE-Tuning at https://github.com/pan-x-c/EE-LLM.

Modeling radio propagation is essential for wireless network design and performance optimization. Traditional methods rely on physics models of radio propagation, which can be inaccurate or inflexible. In this work, we propose using graph neural networks to learn radio propagation behaviors directly from real-world network data. Our approach converts the radio propagation environment into a graph representation, with nodes corresponding to locations and edges representing spatial and ray-tracing relationships between locations. The graph is generated by converting images of the environment into a graph structure, with specific relationships between nodes. The model is trained on this graph representation, using sensor measurements as target data. We demonstrate that the graph neural network, which learns to predict radio propagation directly from data, achieves competitive performance compared to traditional heuristic models. This data-driven approach outperforms classic numerical solvers in terms of both speed and accuracy. To the best of our knowledge, we are the first to apply graph neural networks to real-world radio propagation data to generate coverage maps, enabling generative models of signal propagation with point measurements only.

In recent years, the use of Generative Adversarial Networks (GANs) has become very popular in generative image modeling. While style-based GAN architectures yield state-of-the-art results in high-fidelity image synthesis, computationally, they are highly complex. In our work, we focus on the performance optimization of style-based generative models. We analyze the most computationally hard parts of StyleGAN2, and propose changes in the generator network to make it possible to deploy style-based generative networks in the edge devices. We introduce MobileStyleGAN architecture, which has x3.5 fewer parameters and is x9.5 less computationally complex than StyleGAN2, while providing comparable quality.

Benchmarking multi-object tracking and object detection model performance is an essential step in machine learning model development, as it allows researchers to evaluate model detection and tracker performance on human-generated 'test' data, facilitating consistent comparisons between models and trackers and aiding performance optimization. In this study, a novel benchmark video dataset was developed and used to assess the performance of several Monterey Bay Aquarium Research Institute object detection models and a FathomNet single-class object detection model together with several trackers. The dataset consists of four video sequences representing midwater and benthic deep-sea habitats. Performance was evaluated using Higher Order Tracking Accuracy, a metric that balances detection, localization, and association accuracy. To the best of our knowledge, this is the first publicly available benchmark for multi-object tracking in deep-sea video footage. We provide the benchmark data, a clearly documented workflow for generating additional benchmark videos, as well as example Python notebooks for computing metrics.

Representation learning in sequential recommendation is critical for accurately modeling user interaction patterns and improving recommendation precision. However, existing approaches predominantly emphasize item-to-item transitions, often neglecting the time intervals between interactions, which are closely related to behavior pattern changes. Additionally, broader interaction attributes, such as item frequency, are frequently overlooked. We found that both sequences with more uniform time intervals and items with higher frequency yield better prediction performance. Conversely, non-uniform sequences exacerbate user interest drift and less-frequent items are difficult to model due to sparse sampling, presenting unique challenges inadequately addressed by current methods. In this paper, we propose UniRec, a novel bidirectional enhancement sequential recommendation method. UniRec leverages sequence uniformity and item frequency to enhance performance, particularly improving the representation of non-uniform sequences and less-frequent items. These two branches mutually reinforce each other, driving comprehensive performance optimization in complex sequential recommendation scenarios. Additionally, we present a multidimensional time module to further enhance adaptability. To the best of our knowledge, UniRec is the first method to utilize the characteristics of uniformity and frequency for feature augmentation. Comparing with eleven advanced models across four datasets, we demonstrate that UniRec outperforms SOTA models significantly. The code is available at https://github.com/Linxi000/UniRec.

Styled Handwritten Text Generation (HTG) has received significant attention in recent years, propelled by the success of learning-based solutions employing GANs, Transformers, and, preliminarily, Diffusion Models. Despite this surge in interest, there remains a critical yet understudied aspect - the impact of the input, both visual and textual, on the HTG model training and its subsequent influence on performance. This study delves deeper into a cutting-edge Styled-HTG approach, proposing strategies for input preparation and training regularization that allow the model to achieve better performance and generalize better. These aspects are validated through extensive analysis on several different settings and datasets. Moreover, in this work, we go beyond performance optimization and address a significant hurdle in HTG research - the lack of a standardized evaluation protocol. In particular, we propose a standardization of the evaluation protocol for HTG and conduct a comprehensive benchmarking of existing approaches. By doing so, we aim to establish a foundation for fair and meaningful comparisons between HTG strategies, fostering progress in the field.

Run-time steering strategies like Medprompt are valuable for guiding large language models (LLMs) to top performance on challenging tasks. Medprompt demonstrates that a general LLM can be focused to deliver state-of-the-art performance on specialized domains like medicine by using a prompt to elicit a run-time strategy involving chain of thought reasoning and ensembling. OpenAI's o1-preview model represents a new paradigm, where a model is designed to do run-time reasoning before generating final responses. We seek to understand the behavior of o1-preview on a diverse set of medical challenge problem benchmarks. Following on the Medprompt study with GPT-4, we systematically evaluate the o1-preview model across various medical benchmarks. Notably, even without prompting techniques, o1-preview largely outperforms the GPT-4 series with Medprompt. We further systematically study the efficacy of classic prompt engineering strategies, as represented by Medprompt, within the new paradigm of reasoning models. We found that few-shot prompting hinders o1's performance, suggesting that in-context learning may no longer be an effective steering approach for reasoning-native models. While ensembling remains viable, it is resource-intensive and requires careful cost-performance optimization. Our cost and accuracy analysis across run-time strategies reveals a Pareto frontier, with GPT-4o representing a more affordable option and o1-preview achieving state-of-the-art performance at higher cost. Although o1-preview offers top performance, GPT-4o with steering strategies like Medprompt retains value in specific contexts. Moreover, we note that the o1-preview model has reached near-saturation on many existing medical benchmarks, underscoring the need for new, challenging benchmarks. We close with reflections on general directions for inference-time computation with LLMs.

We present EE-LLM, a framework for large-scale training and inference of early-exit large language models (LLMs). While recent works have shown preliminary evidence for the efficacy of early exiting in accelerating LLM inference, EE-LLM makes a foundational step towards scaling up early-exit LLMs by supporting their training and inference with massive 3D parallelism. Built upon Megatron-LM, EE-LLM implements a variety of algorithmic innovations and performance optimizations tailored to early exiting, including a lightweight method that facilitates backpropagation for the early-exit training objective with pipeline parallelism, techniques of leveraging idle resources in the original pipeline schedule for computation related to early-exit layers, and two approaches of early-exit inference that are compatible with KV caching for autoregressive generation. Our analytical and empirical study shows that EE-LLM achieves great training efficiency with negligible computational overhead compared to standard LLM training, as well as outstanding inference speedup without compromising output quality. To facilitate further research and adoption, we release EE-LLM at https://github.com/pan-x-c/EE-LLM.

Shampoo is an online and stochastic optimization algorithm belonging to the AdaGrad family of methods for training neural networks. It constructs a block-diagonal preconditioner where each block consists of a coarse Kronecker product approximation to full-matrix AdaGrad for each parameter of the neural network. In this work, we provide a complete description of the algorithm as well as the performance optimizations that our implementation leverages to train deep networks at-scale in PyTorch. Our implementation enables fast multi-GPU distributed data-parallel training by distributing the memory and computation associated with blocks of each parameter via PyTorch's DTensor data structure and performing an AllGather primitive on the computed search directions at each iteration. This major performance enhancement enables us to achieve at most a 10% performance reduction in per-step wall-clock time compared against standard diagonal-scaling-based adaptive gradient methods. We validate our implementation by performing an ablation study on training ImageNet ResNet50, demonstrating Shampoo's superiority over standard training recipes with minimal hyperparameter tuning.

Multivariate time series data, collected across various fields such as manufacturing and wearable technology, exhibit states at multiple levels of granularity, from coarse-grained system behaviors to fine-grained, detailed events. Effectively segmenting and integrating states across these different granularities is crucial for tasks like predictive maintenance and performance optimization. However, existing time series segmentation methods face two key challenges: (1) the inability to handle multiple levels of granularity within a unified model, and (2) limited adaptability to new, evolving patterns in dynamic environments. To address these challenges, we propose PromptTSS, a novel framework for time series segmentation with multi-granularity states. PromptTSS uses a unified model with a prompting mechanism that leverages label and boundary information to guide segmentation, capturing both coarse- and fine-grained patterns while adapting dynamically to unseen patterns. Experiments show PromptTSS improves accuracy by 24.49% in multi-granularity segmentation, 17.88% in single-granularity segmentation, and up to 599.24% in transfer learning, demonstrating its adaptability to hierarchical states and evolving time series dynamics. Our code is available at https://github.com/blacksnail789521/PromptTSS.

Training deep neural networks (DNNs) is becoming increasingly more resource- and energy-intensive every year. Unfortunately, existing works primarily focus on optimizing DNN training for faster completion, often without considering the impact on energy efficiency. In this paper, we observe that common practices to improve training performance can often lead to inefficient energy usage. More importantly, we demonstrate that there is a tradeoff between energy consumption and performance optimization. To this end, we propose Zeus, an optimization framework to navigate this tradeoff by automatically finding optimal job- and GPU-level configurations for recurring DNN training jobs. Zeus uses an online exploration-exploitation approach in conjunction with just-in-time energy profiling, averting the need for expensive offline measurements, while adapting to data drifts over time. Our evaluation shows that Zeus can improve the energy efficiency of DNN training by 15.3%-75.8% for diverse workloads.

In this work, we explore whether modeling recurrence into the Transformer architecture can both be beneficial and efficient, by building an extremely simple recurrent module into the Transformer. We compare our model to baselines following the training and evaluation recipe of BERT. Our results confirm that recurrence can indeed improve Transformer models by a consistent margin, without requiring low-level performance optimizations, and while keeping the number of parameters constant. For example, our base model achieves an absolute improvement of 2.1 points averaged across 10 tasks and also demonstrates increased stability in fine-tuning over a range of learning rates.

Memory is critical for AI agents, yet the widely-adopted static memory, aiming to create readily available memory in advance, is inevitably subject to severe information loss. To address this limitation, we propose a novel framework called general agentic memory (GAM). GAM follows the principle of "just-in time (JIT) compilation" where it focuses on creating optimized contexts for its client at runtime while keeping only simple but useful memory during the offline stage. To this end, GAM employs a duo-design with the following components. 1) Memorizer, which highlights key historical information using a lightweight memory, while maintaining complete historical information within a universal page-store. 2) Researcher, which retrieves and integrates useful information from the page-store for its online request guided by the pre-constructed memory. This design allows GAM to effectively leverage the agentic capabilities and test-time scalability of frontier large language models (LLMs), while also facilitating end-to-end performance optimization through reinforcement learning. In our experimental study, we demonstrate that GAM achieves substantial improvement on various memory-grounded task completion scenarios against existing memory systems.

Offline batch inference, which leverages the flexibility of request batching to achieve higher throughput and lower costs, is becoming more popular for latency-insensitive applications. Meanwhile, recent progress in model capability and modality makes requests more diverse in compute and memory demands, creating unique opportunities for throughput improvement by resource overlapping. However, a request schedule that maximizes resource overlapping can conflict with the schedule that maximizes prefix sharing, a widely-used performance optimization, causing sub-optimal inference throughput. We present BlendServe, a system that maximizes resource utilization of offline batch inference by combining the benefits of resource overlapping and prefix sharing using a resource-aware prefix tree. BlendServe exploits the relaxed latency requirements in offline batch inference to reorder and overlap requests with varied resource demands while ensuring high prefix sharing. We evaluate BlendServe on a variety of synthetic multi-modal workloads and show that it provides up to 1.44times throughput boost compared to widely-used industry standards, vLLM and SGLang.

Autoregressive models, despite their commendable performance in a myriad of generative tasks, face challenges stemming from their inherently sequential structure. Inference on these models, by design, harnesses a temporal dependency, where the current token's probability distribution is conditioned on preceding tokens. This inherent characteristic severely impedes computational efficiency during inference as a typical inference request can require more than thousands of tokens, where generating each token requires a load of entire model weights, making the inference more memory-bound. The large overhead becomes profound in real deployment where requests arrive randomly, necessitating various generation lengths. Existing solutions, such as dynamic batching and concurrent instances, introduce significant response delays and bandwidth contention, falling short of achieving optimal latency and throughput. To address these shortcomings, we propose Flover -- a temporal fusion framework for efficiently inferring multiple requests in parallel. We deconstruct the general generation pipeline into pre-processing and token generation, and equip the framework with a dedicated work scheduler for fusing the generation process temporally across all requests. By orchestrating the token-level parallelism, Flover exhibits optimal hardware efficiency and significantly spares the system resources. By further employing a fast buffer reordering algorithm that allows memory eviction of finished tasks, it brings over 11x inference speedup on GPT and 16x on LLAMA compared to the cutting-edge solutions provided by NVIDIA FasterTransformer. Crucially, by leveraging the advanced tensor parallel technique, Flover proves efficacious across diverse computational landscapes, from single-GPU setups to distributed scenarios, thereby offering robust performance optimization that adapts to variable use cases.

Video understanding represents the most challenging frontier in computer vision, requiring models to reason about complex spatiotemporal relationships, long-term dependencies, and multimodal evidence. The recent emergence of Video-Large Multimodal Models (Video-LMMs), which integrate visual encoders with powerful decoder-based language models, has demonstrated remarkable capabilities in video understanding tasks. However, the critical phase that transforms these models from basic perception systems into sophisticated reasoning engines, post-training, remains fragmented across the literature. This survey provides the first comprehensive examination of post-training methodologies for Video-LMMs, encompassing three fundamental pillars: supervised fine-tuning (SFT) with chain-of-thought, reinforcement learning (RL) from verifiable objectives, and test-time scaling (TTS) through enhanced inference computation. We present a structured taxonomy that clarifies the roles, interconnections, and video-specific adaptations of these techniques, addressing unique challenges such as temporal localization, spatiotemporal grounding, long video efficiency, and multimodal evidence integration. Through systematic analysis of representative methods, we synthesize key design principles, insights, and evaluation protocols while identifying critical open challenges in reward design, scalability, and cost-performance optimization. We further curate essential benchmarks, datasets, and metrics to facilitate rigorous assessment of post-training effectiveness. This survey aims to provide researchers and practitioners with a unified framework for advancing Video-LMM capabilities. Additional resources and updates are maintained at: https://github.com/yunlong10/Awesome-Video-LMM-Post-Training

As scientific research proliferates, researchers face the daunting task of navigating and reading vast amounts of literature. Existing solutions, such as document QA, fail to provide personalized and up-to-date information efficiently. We present Paper Copilot, a self-evolving, efficient LLM system designed to assist researchers, based on thought-retrieval, user profile and high performance optimization. Specifically, Paper Copilot can offer personalized research services, maintaining a real-time updated database. Quantitative evaluation demonstrates that Paper Copilot saves 69.92\% of time after efficient deployment. This paper details the design and implementation of Paper Copilot, highlighting its contributions to personalized academic support and its potential to streamline the research process.

Retrieval-Augmented Generation (RAG) is a critical paradigm for building reliable, knowledge-intensive Large Language Model (LLM) applications. However, the multi-stage pipeline (retrieve, generate) and unique workload characteristics (e.g., knowledge dependency) of RAG systems pose significant challenges for serving performance optimization. Existing generic LLM inference traces fail to capture these RAG-specific dynamics, creating a significant performance gap between academic research and real-world deployment. To bridge this gap, this paper introduces RAGPulse, an open-source RAG workload trace dataset. This dataset was collected from an university-wide Q&A system serving that has served more than 40,000 students and faculties since April 2024. We detail RAGPulse's system architecture, its privacy-preserving hash-based data format, and provide an in-depth statistical analysis. Our analysis reveals that real-world RAG workloads exhibit significant temporal locality and a highly skewed hot document access pattern. RAGPulse provides a high-fidelity foundation for researchers to develop and validate novel optimization strategies for RAG systems, such as content-aware batching and retrieval caching, ultimately enhancing the efficiency and reliability of RAG services. The code is available at https://github.com/flashserve/RAGPulse.

Reinforcement learning with verifiable rewards (RLVR) has emerged as a powerful paradigm for enhancing the reasoning capabilities of large language models (LLMs). Unlike traditional RL approaches, RLVR leverages rule-based feedback to guide LLMs in generating and refining complex reasoning chains -- a process critically dependent on effective exploration strategies. While prior work has demonstrated RLVR's empirical success, the fundamental mechanisms governing LLMs' exploration behaviors remain underexplored. This technical report presents a systematic investigation of exploration capacities in RLVR, covering four main aspects: (1) exploration space shaping, where we develop quantitative metrics to characterize LLMs' capability boundaries; (2) entropy-performance exchange, analyzed across training stages, individual instances, and token-level patterns; and (3) RL performance optimization, examining methods to effectively translate exploration gains into measurable improvements. By unifying previously identified insights with new empirical evidence, this work aims to provide a foundational framework for advancing RLVR systems.

Multi-agent systems (MAS) have emerged as a powerful paradigm for orchestrating large language models (LLMs) and specialized tools to collaboratively address complex tasks. However, existing MAS frameworks often require manual workflow configuration and lack native support for dynamic evolution and performance optimization. In addition, many MAS optimization algorithms are not integrated into a unified framework. In this paper, we present EvoAgentX, an open-source platform that automates the generation, execution, and evolutionary optimization of multi-agent workflows. EvoAgentX employs a modular architecture consisting of five core layers: the basic components, agent, workflow, evolving, and evaluation layers. Specifically, within the evolving layer, EvoAgentX integrates three MAS optimization algorithms, TextGrad, AFlow, and MIPRO, to iteratively refine agent prompts, tool configurations, and workflow topologies. We evaluate EvoAgentX on HotPotQA, MBPP, and MATH for multi-hop reasoning, code generation, and mathematical problem solving, respectively, and further assess it on real-world tasks using GAIA. Experimental results show that EvoAgentX consistently achieves significant performance improvements, including a 7.44% increase in HotPotQA F1, a 10.00% improvement in MBPP pass@1, a 10.00% gain in MATH solve accuracy, and an overall accuracy improvement of up to 20.00% on GAIA. The source code is available at: https://github.com/EvoAgentX/EvoAgentX

We introduce QuArch, a dataset of 1500 human-validated question-answer pairs designed to evaluate and enhance language models' understanding of computer architecture. The dataset covers areas including processor design, memory systems, and performance optimization. Our analysis highlights a significant performance gap: the best closed-source model achieves 84% accuracy, while the top small open-source model reaches 72%. We observe notable struggles in memory systems, interconnection networks, and benchmarking. Fine-tuning with QuArch improves small model accuracy by up to 8%, establishing a foundation for advancing AI-driven computer architecture research. The dataset and leaderboard are at https://harvard-edge.github.io/QuArch/.

Semantic Change Detection (SCD) from remote sensing imagery requires models balancing extensive spatial context, computational efficiency, and sensitivity to class-imbalanced land-cover transitions. While Convolutional Neural Networks excel at local feature extraction but lack global context, Transformers provide global modeling at high computational costs. Recent Mamba architectures based on state-space models offer compelling solutions through linear complexity and efficient long-range modeling. In this study, we introduce Mamba-FCS, a SCD framework built upon Visual State Space Model backbone incorporating, a Joint Spatio-Frequency Fusion block incorporating log-amplitude frequency domain features to enhance edge clarity and suppress illumination artifacts, a Change-Guided Attention (CGA) module that explicitly links the naturally intertwined BCD and SCD tasks, and a Separated Kappa (SeK) loss tailored for class-imbalanced performance optimization. Extensive evaluation on SECOND and Landsat-SCD datasets shows that Mamba-FCS achieves state-of-the-art metrics, 88.62% Overall Accuracy, 65.78% F_scd, and 25.50% SeK on SECOND, 96.25% Overall Accuracy, 89.27% F_scd, and 60.26% SeK on Landsat-SCD. Ablation analyses confirm distinct contributions of each novel component, with qualitative assessments highlighting significant improvements in SCD. Our results underline the substantial potential of Mamba architectures, enhanced by proposed techniques, setting a new benchmark for effective and scalable semantic change detection in remote sensing applications. The complete source code, configuration files, and pre-trained models will be publicly available upon publication.

We explore the novel application of Large Language Models to code optimization. We present a 7B-parameter transformer model trained from scratch to optimize LLVM assembly for code size. The model takes as input unoptimized assembly and outputs a list of compiler options to best optimize the program. Crucially, during training, we ask the model to predict the instruction counts before and after optimization, and the optimized code itself. These auxiliary learning tasks significantly improve the optimization performance of the model and improve the model's depth of understanding. We evaluate on a large suite of test programs. Our approach achieves a 3.0% improvement in reducing instruction counts over the compiler, outperforming two state-of-the-art baselines that require thousands of compilations. Furthermore, the model shows surprisingly strong code reasoning abilities, generating compilable code 91% of the time and perfectly emulating the output of the compiler 70% of the time.

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

Reinforcement learning (RL) is vital for optimizing large language models (LLMs). Recent Group Relative Policy Optimization (GRPO) estimates advantages using multiple on-policy outputs per prompt, leading to high computational costs and low data efficiency. To address this, we introduce Replay-Enhanced Policy Optimization (RePO), which leverages diverse replay strategies to retrieve off-policy samples from a replay buffer, allowing policy optimization based on a broader and more diverse set of samples for each prompt. Experiments on five LLMs across seven mathematical reasoning benchmarks demonstrate that RePO achieves absolute average performance gains of 18.4 and 4.1 points for Qwen2.5-Math-1.5B and Qwen3-1.7B, respectively, compared to GRPO. Further analysis indicates that RePO increases computational cost by 15% while raising the number of effective optimization steps by 48% for Qwen3-1.7B, with both on-policy and off-policy sample numbers set to 8. The repository can be accessed at https://github.com/SihengLi99/RePO.

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

Direct Preference Optimization (DPO) simplifies reinforcement learning from human feedback (RLHF) for large language models (LLMs) by directly optimizing human preferences without an explicit reward model. We find that during DPO training, the reference model plays the role of a data weight adjuster. However, the common practice of initializing the policy and reference models identically in DPO can lead to inefficient data utilization and impose a performance ceiling. Meanwhile, the lack of a reference model in Simple Preference Optimization (SimPO) reduces training robustness and necessitates stricter conditions to prevent catastrophic forgetting. In this work, we propose Pre-DPO, a simple yet effective DPO-based training paradigm that enhances preference optimization performance by leveraging a guiding reference model. This reference model provides foresight into the optimal policy state achievable through the training preference data, serving as a guiding mechanism that adaptively assigns higher weights to samples more suitable for the model and lower weights to those less suitable. Extensive experiments on AlpacaEval 2.0 and Arena-Hard v0.1 benchmarks demonstrate that Pre-DPO consistently improves the performance of both DPO and SimPO, without relying on external models or additional data.

The effectiveness of large language models (LLMs) is closely tied to the design of prompts, making prompt optimization essential for enhancing their performance across a wide range of tasks. Many existing approaches to automating prompt engineering rely exclusively on textual feedback, refining prompts based solely on inference errors identified by large, computationally expensive LLMs. Unfortunately, smaller models struggle to generate high-quality feedback, resulting in complete dependence on large LLM judgment. Moreover, these methods fail to leverage more direct and finer-grained information, such as gradients, due to operating purely in text space. To this end, we introduce GReaTer, a novel prompt optimization technique that directly incorporates gradient information over task-specific reasoning. By utilizing task loss gradients, GReaTer enables self-optimization of prompts for open-source, lightweight language models without the need for costly closed-source LLMs. This allows high-performance prompt optimization without dependence on massive LLMs, closing the gap between smaller models and the sophisticated reasoning often needed for prompt refinement. Extensive evaluations across diverse reasoning tasks including BBH, GSM8k, and FOLIO demonstrate that GReaTer consistently outperforms previous state-of-the-art prompt optimization methods, even those reliant on powerful LLMs. Additionally, GReaTer-optimized prompts frequently exhibit better transferability and, in some cases, boost task performance to levels comparable to or surpassing those achieved by larger language models, highlighting the effectiveness of prompt optimization guided by gradients over reasoning. Code of GReaTer is available at https://github.com/psunlpgroup/GreaTer.

While stochastic gradient descent (SGD) is still the most popular optimization algorithm in deep learning, adaptive algorithms such as Adam have established empirical advantages over SGD in some deep learning applications such as training transformers. However, it remains a question that why Adam converges significantly faster than SGD in these scenarios. In this paper, we propose one explanation of why Adam converges faster than SGD using a new concept directional sharpness. We argue that the performance of optimization algorithms is closely related to the directional sharpness of the update steps, and show SGD has much worse directional sharpness compared to adaptive algorithms. We further observe that only a small fraction of the coordinates causes the bad sharpness and slow convergence of SGD, and propose to use coordinate-wise clipping as a solution to SGD and other optimization algorithms. We demonstrate the effect of coordinate-wise clipping on sharpness reduction and speeding up the convergence of optimization algorithms under various settings. We show that coordinate-wise clipping improves the local loss reduction when only a small fraction of the coordinates has bad sharpness. We conclude that the sharpness reduction effect of adaptive coordinate-wise scaling is the reason for Adam's success in practice and suggest the use of coordinate-wise clipping as a universal technique to speed up deep learning optimization.

Generating cognitive-aligned layered SVGs remains challenging due to existing methods' tendencies toward either oversimplified single-layer outputs or optimization-induced shape redundancies. We propose LayerTracer, a diffusion transformer based framework that bridges this gap by learning designers' layered SVG creation processes from a novel dataset of sequential design operations. Our approach operates in two phases: First, a text-conditioned DiT generates multi-phase rasterized construction blueprints that simulate human design workflows. Second, layer-wise vectorization with path deduplication produces clean, editable SVGs. For image vectorization, we introduce a conditional diffusion mechanism that encodes reference images into latent tokens, guiding hierarchical reconstruction while preserving structural integrity. Extensive experiments demonstrate LayerTracer's superior performance against optimization-based and neural baselines in both generation quality and editability, effectively aligning AI-generated vectors with professional design cognition.

Multi-view 3D reconstruction has remained an essential yet challenging problem in the field of computer vision. While DUSt3R and its successors have achieved breakthroughs in 3D reconstruction from unposed images, these methods exhibit significant limitations when scaling to multi-view scenarios, including high computational cost and cumulative error induced by global alignment. To address these challenges, we propose Regist3R, a novel stereo foundation model tailored for efficient and scalable incremental reconstruction. Regist3R leverages an incremental reconstruction paradigm, enabling large-scale 3D reconstructions from unordered and many-view image collections. We evaluate Regist3R on public datasets for camera pose estimation and 3D reconstruction. Our experiments demonstrate that Regist3R achieves comparable performance with optimization-based methods while significantly improving computational efficiency, and outperforms existing multi-view reconstruction models. Furthermore, to assess its performance in real-world applications, we introduce a challenging oblique aerial dataset which has long spatial spans and hundreds of views. The results highlight the effectiveness of Regist3R. We also demonstrate the first attempt to reconstruct large-scale scenes encompassing over thousands of views through pointmap-based foundation models, showcasing its potential for practical applications in large-scale 3D reconstruction tasks, including urban modeling, aerial mapping, and beyond.

Existing learning rate schedules that do not require specification of the optimization stopping step T are greatly out-performed by learning rate schedules that depend on T. We propose an approach that avoids the need for this stopping time by eschewing the use of schedules entirely, while exhibiting state-of-the-art performance compared to schedules across a wide family of problems ranging from convex problems to large-scale deep learning problems. Our Schedule-Free approach introduces no additional hyper-parameters over standard optimizers with momentum. Our method is a direct consequence of a new theory we develop that unifies scheduling and iterate averaging. An open source implementation of our method is available (https://github.com/facebookresearch/schedule_free).

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function. Although such a surrogate can be learned from offline data, its prediction might not be reliable outside the offline data regime, which happens when the surrogate has narrow prediction margin and is (therefore) sensitive to small perturbations of its parameterization. This raises the following questions: (1) how to regulate the sensitivity of a surrogate model; and (2) whether conditioning an offline optimizer with such less sensitive surrogate will lead to better optimization performance. To address these questions, we develop an optimizable sensitivity measurement for the surrogate model, which then inspires a sensitivity-informed regularizer that is applicable to a wide range of offline optimizers. This development is both orthogonal and synergistic to prior research on offline optimization, which is demonstrated in our extensive experiment benchmark.

Large Language Models (LLMs) have demonstrated remarkable success across various domains, yet their optimization remains a significant challenge due to the complex and high-dimensional loss landscapes they inhabit. While adaptive optimizers such as AdamW are widely used, they suffer from critical limitations, including an inability to capture interdependencies between coordinates and high memory consumption. Subsequent research, exemplified by SOAP, attempts to better capture coordinate interdependence but incurs greater memory overhead, limiting scalability for massive LLMs. An alternative approach aims to reduce memory consumption through low-dimensional projection, but this leads to substantial approximation errors, resulting in less effective optimization (e.g., in terms of per-token efficiency). In this paper, we propose COSMOS, a novel hybrid optimizer that leverages the varying importance of eigensubspaces in the gradient matrix to achieve memory efficiency without compromising optimization performance. The design of COSMOS is motivated by our empirical insights and practical considerations. Specifically, COSMOS applies SOAP to the leading eigensubspace, which captures the primary optimization dynamics, and MUON to the remaining eigensubspace, which is less critical but computationally expensive to handle with SOAP. This hybrid strategy significantly reduces memory consumption while maintaining robust optimization performance, making it particularly suitable for massive LLMs. Numerical experiments on various datasets and transformer architectures are provided to demonstrate the effectiveness of COSMOS. Our code is available at https://github.com/lliu606/COSMOS.

Large Language Models (LLMs) excel in various tasks, but they rely on carefully crafted prompts that often demand substantial human effort. To automate this process, in this paper, we propose a novel framework for discrete prompt optimization, called EvoPrompt, which borrows the idea of evolutionary algorithms (EAs) as they exhibit good performance and fast convergence. To enable EAs to work on discrete prompts, which are natural language expressions that need to be coherent and human-readable, we connect LLMs with EAs. This approach allows us to simultaneously leverage the powerful language processing capabilities of LLMs and the efficient optimization performance of EAs. Specifically, abstaining from any gradients or parameters, EvoPrompt starts from a population of prompts and iteratively generates new prompts with LLMs based on the evolutionary operators, improving the population based on the development set. We optimize prompts for both closed- and open-source LLMs including GPT-3.5 and Alpaca, on 9 datasets spanning language understanding and generation tasks. EvoPrompt significantly outperforms human-engineered prompts and existing methods for automatic prompt generation by up to 25% and 14% respectively. Furthermore, EvoPrompt demonstrates that connecting LLMs with EAs creates synergies, which could inspire further research on the combination of LLMs and conventional algorithms.

Autonomous systems (AS) are systems that can adapt and change their behavior in response to unanticipated events and include systems such as aerial drones, autonomous vehicles, and ground/aquatic robots. AS require a wide array of sensors, deep-learning models, and powerful hardware platforms to perceive and safely operate in real-time. However, in many contexts, some sensing modalities negatively impact perception while increasing the system's overall energy consumption. Since AS are often energy-constrained edge devices, energy-efficient sensor fusion methods have been proposed. However, existing methods either fail to adapt to changing scenario conditions or to optimize energy efficiency system-wide. We propose CARMA: a context-aware sensor fusion approach that uses context to dynamically reconfigure the computation flow on a Field-Programmable Gate Array (FPGA) at runtime. By clock-gating unused sensors and model sub-components, CARMA significantly reduces the energy used by a multi-sensory object detector without compromising performance. We use a Deep-learning Processor Unit (DPU) based reconfiguration approach to minimize the latency of model reconfiguration. We evaluate multiple context-identification strategies, propose a novel system-wide energy-performance joint optimization, and evaluate scenario-specific perception performance. Across challenging real-world sensing contexts, CARMA outperforms state-of-the-art methods with up to 1.3x speedup and 73% lower energy consumption.

The commitment to single-precision floating-point arithmetic is widespread in the deep learning community. To evaluate whether this commitment is justified, the influence of computing precision (single and double precision) on the optimization performance of the Conjugate Gradient (CG) method (a second-order optimization algorithm) and RMSprop (a first-order algorithm) has been investigated. Tests of neural networks with one to five fully connected hidden layers and moderate or strong nonlinearity with up to 4 million network parameters have been optimized for Mean Square Error (MSE). The training tasks have been set up so that their MSE minimum was known to be zero. Computing experiments have disclosed that single-precision can keep up (with superlinear convergence) with double-precision as long as line search finds an improvement. First-order methods such as RMSprop do not benefit from double precision. However, for moderately nonlinear tasks, CG is clearly superior. For strongly nonlinear tasks, both algorithm classes find only solutions fairly poor in terms of mean square error as related to the output variance. CG with double floating-point precision is superior whenever the solutions have the potential to be useful for the application goal.

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

Recent studies, including DeepSeek-R1 and Kimi-k1.5, have demonstrated that reinforcement learning with rule-based, binary-valued reward functions can significantly enhance the reasoning capabilities of large language models. These models primarily utilize REINFORCE-based policy optimization techniques, such as REINFORCE with baseline and group relative policy optimization (GRPO). However, a key limitation remains: current policy optimization methods either neglect reward normalization or employ static normalization strategies, which fail to adapt to the dynamic nature of policy updates during training. This may result in unstable gradient estimates and hinder training stability. To address this issue, we propose Beta Normalization Policy Optimization (BNPO), a novel policy optimization method that adaptively normalizes rewards using a Beta distribution with dynamically updated parameters. BNPO aligns the normalization with the changing policy distribution, enabling more precise and lower-variance gradient estimation, which in turn promotes stable training dynamics. We provide theoretical analysis demonstrating BNPO's variance-reducing properties and show that it generalizes both REINFORCE and GRPO under binary-valued reward settings. Furthermore, we introduce an advantage decomposition mechanism to extend BNPO's applicability to more complex reward systems. Experimental results confirm that BNPO achieves state-of-the-art performance among policy optimization methods on reasoning tasks. The code is available at https://github.com/changyi7231/BNPO.

Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to form actionable conclusions. We present a Bayesian hierarchical modeling framework that rigorously quantifies performance metrics and their uncertainty, enabling a nuanced comparison of algorithmic strategies. We apply this framework to analyze the Dimer method, comparing Conjugate Gradient (CG) and L-BFGS rotation optimizers, with and without the removal of external rotations, across a benchmark of 500 molecular systems. Our analysis confirms that CG offers higher overall robustness than L-BFGS in this context. While the theoretically-motivated removal of external rotations led to higher computational cost (>40% more energy and force calls) for most systems in this set, our models also reveal a subtle interplay, hinting that this feature may improve the reliability of the L-BFGS optimizer. Rather than identifying a single superior method, our findings support the design of adaptive "chain of methods" workflows. This work showcases how a robust statistical paradigm can move beyond simple performance rankings to inform the intelligent, context-dependent application of computational chemistry methods.

Direct Preference Optimization (DPO) has emerged as a compelling approach for training Large Language Models (LLMs) to adhere to human preferences. However, the performance of DPO is sensitive to the fine-tuning of its trade-off parameter beta, as well as to the quality of the preference data. We analyze the impact of beta and data quality on DPO, uncovering that optimal beta values vary with the informativeness of pairwise data. Addressing the limitations of static beta values, we introduce a novel framework that dynamically calibrates beta at the batch level, informed by data quality considerations. Additionally, our method incorporates beta-guided data filtering to safeguard against the influence of outliers. Through empirical evaluation, we demonstrate that our dynamic beta adjustment technique significantly improves DPO's performance across a range of models and datasets, offering a more robust and adaptable training paradigm for aligning LLMs with human feedback. The code is available at https://github.com/junkangwu/beta-DPO.

Large language models~(LLMs) are instruction followers, but it can be challenging to find the best instruction for different situations, especially for black-box LLMs on which backpropagation is forbidden. Instead of directly optimizing the discrete instruction, we optimize a low-dimensional soft prompt applied to an open-source LLM to generate the instruction for the black-box LLM. On each iteration of the proposed method, which we call InstructZero, a soft prompt is converted into an instruction using the open-source LLM, which is then submitted to the black-box LLM for zero-shot evaluation, and the performance is sent to Bayesian optimization to produce new soft prompts improving the zero-shot performance. We evaluate InstructZero on different combinations of open-source LLMs and APIs including Vicuna and ChatGPT. Our results show that InstructZero outperforms SOTA auto-instruction methods across a variety of downstream tasks. Our code and data are publicly available at https://github.com/Lichang-Chen/InstructZero.

Large Language Models (LLMs) have emerged as powerful tools for complex Operations Research (OR) in automating optimization modeling. However, current methodologies heavily rely on prompt engineering (e.g., multi-agent cooperation) with proprietary LLMs, raising data privacy concerns that could be prohibitive in industry applications. To tackle this issue, we propose training open-source LLMs for optimization modeling. We identify four critical requirements for the training dataset of OR LLMs, design and implement OR-Instruct, a semi-automated process for creating synthetic data tailored to specific requirements. We also introduce the IndustryOR benchmark, the first industrial benchmark for testing LLMs on solving real-world OR problems. We apply the data from OR-Instruct to various open-source LLMs of 7b size (termed as ORLMs), resulting in a significantly improved capability for optimization modeling. Our best-performing ORLM achieves state-of-the-art performance on the NL4OPT, MAMO, and IndustryOR benchmarks. Our code and data will be available at https://github.com/Cardinal-Operations/ORLM.

The recent development of chain-of-thought (CoT) decoding has enabled large language models (LLMs) to generate explicit logical reasoning paths for complex problem-solving. However, research indicates that these paths are not always deliberate and optimal. The tree-of-thought (ToT) method employs tree-searching to extensively explore the reasoning space and find better reasoning paths that CoT decoding might overlook. This deliberation, however, comes at the cost of significantly increased inference complexity. In this work, we demonstrate that fine-tuning LLMs leveraging the search tree constructed by ToT allows CoT to achieve similar or better performance, thereby avoiding the substantial inference burden. This is achieved through Chain of Preference Optimization (CPO), where LLMs are fine-tuned to align each step of the CoT reasoning paths with those of ToT using the inherent preference information in the tree-search process. Extensive experimental results show that CPO significantly improves LLM performance in solving a variety of complex problems, including question answering, fact verification, and arithmetic reasoning, demonstrating its effectiveness. Our code is available at https://github.com/sail-sg/CPO.

Large Reasoning Models (LRMs) have demonstrated strong capabilities in complex multi-step reasoning, opening new opportunities for automating optimization modeling. However, existing domain adaptation methods, originally designed for earlier instruction-tuned models, often fail to exploit the advanced reasoning patterns of modern LRMs -- In particular, we show that direct fine-tuning on traditional non-reflective datasets leads to limited gains. To fully leverage LRMs' inherent reasoning abilities, we propose CALM (Corrective Adaptation with Lightweight Modification), a framework that progressively refines LRMs within their native reasoning modes for optimization modeling tasks. In CALM, an expert intervener identifies reasoning flaws and provides concise corrective hints, which the LRM incorporates to produce improved reasoning trajectories. These interventions modify fewer than 2.6\% of generated tokens, but generate high-quality data for soft adaptation through supervised fine-tuning. The adapted model is then further improved through reinforcement learning. Building on CALM, we develop STORM (Smart Thinking Optimization Reasoning Model), a 4B-parameter LRM that achieves a new state-of-the-art average accuracy of 68.9\% across five popular optimization modeling benchmarks, matching the performance of a 671B LRM. These results demonstrate that dynamic, hint-based data synthesis both preserves and amplifies the native reasoning patterns of modern LRMs, offering a more effective and scalable path towards expert-level performance on challenging optimization modeling tasks.

The Quantum Approximate Optimization Algorithm (QAOA) is a prominent variational algorithm used for solving combinatorial optimization problems such as the Max-Cut problem. A key challenge in QAOA lies in efficiently identifying suitable parameters (gamma, beta) that lead to high-quality solutions. In this paper, we propose a framework that combines Fully Informed Particle Swarm Optimization (FIPSO) with adaptive gradient correction using the Adam Optimizer to navigate the QAOA parameter space. This approach aims to avoid issues such as barren plateaus and convergence to local minima. The proposed algorithm is evaluated against two classes of graph instances, Erdos Renyi and Watts-Strogatz. Experimental results across multiple QAOA depths consistently demonstrate superior performance compared to random initialization, underscoring the effectiveness and robustness of the proposed optimization framework.

The sheer size of modern neural networks makes model serving a serious computational challenge. A popular class of compression techniques overcomes this challenge by pruning or sparsifying the weights of pretrained networks. While useful, these techniques often face serious tradeoffs between computational requirements and compression quality. In this work, we propose a novel optimization-based pruning framework that considers the combined effect of pruning (and updating) multiple weights subject to a sparsity constraint. Our approach, CHITA, extends the classical Optimal Brain Surgeon framework and results in significant improvements in speed, memory, and performance over existing optimization-based approaches for network pruning. CHITA's main workhorse performs combinatorial optimization updates on a memory-friendly representation of local quadratic approximation(s) of the loss function. On a standard benchmark of pretrained models and datasets, CHITA leads to significantly better sparsity-accuracy tradeoffs than competing methods. For example, for MLPNet with only 2% of the weights retained, our approach improves the accuracy by 63% relative to the state of the art. Furthermore, when used in conjunction with fine-tuning SGD steps, our method achieves significant accuracy gains over the state-of-the-art approaches.

Developing efficient CUDA kernels is increasingly critical for AI applications such as large-scale LLM training. However, manual kernel design is both costly and time-consuming, motivating automatic approaches that leverage LLMs for code generation. Existing methods for automatic kernel generation, however, often produce low-efficiency kernels, incur high computational overhead, and fail to generalize across settings. In this work, we propose CudaForge, a training-free multi-agent workflow for CUDA kernel generation and optimization. Our workflow is inspired by the iterative workflow of human experts, which contains steps such as developing initial kernels, testing correctness, analyzing hardware feedback, and iterative improvement. More specifically, CudaForge employs two LLM agents: a Coder and a Judge, that iteratively generate, correct, and optimize CUDA kernels, while integrating hardware feedback such as Nsight Compute (NCU) metrics. In extensive evaluations, we show that CudaForge, by leveraging base models like OpenAI-o3, achieves 97.6\% correctness of generated kernels and an average 1.68times speedup over PyTorch baselines, substantially surpassing state-of-the-art models including OpenAI-o3 and Kevin on KernelBench.Beyond accuracy and speed, CudaForge demonstrates strong generalization across GPUs (A100, RTX 6000, 4090, 3090) and base models (OpenAI-o3, GPT-5, gpt-oss-120B, Claude-Sonnet-4, QwQ-32B), while maintaining high efficiency. In particular, generating an optimized kernel takes about 26.5 minutes on one RTX6000 and incurs about \ 0.3 API cost, which is significantly cheaper than existing agentic work that costs 6 H100 hours and 5 API cost per kernel. Our results highlight that multi-agent, training-free workflows can enable cost-effective, generalizable, and high-performance CUDA kernel optimization. Code available at https://github.com/OptimAI-Lab/CudaForge

Transformer-based language models such as BERT have become foundational in NLP, yet their performance degrades in specialized domains like patents, which contain long, technical, and legally structured text. Prior approaches to patent NLP have primarily relied on fine-tuning general-purpose models or domain-adapted variants pretrained with limited data. In this work, we pretrain 3 domain-specific masked language models for patents, using the ModernBERT architecture and a curated corpus of over 60 million patent records. Our approach incorporates architectural optimizations, including FlashAttention, rotary embeddings, and GLU feed-forward layers. We evaluate our models on four downstream patent classification tasks. Our model, ModernBERT-base-PT, consistently outperforms the general-purpose ModernBERT baseline on three out of four datasets and achieves competitive performance with a baseline PatentBERT. Additional experiments with ModernBERT-base-VX and Mosaic-BERT-large demonstrate that scaling the model size and customizing the tokenizer further enhance performance on selected tasks. Notably, all ModernBERT variants retain substantially faster inference over - 3x that of PatentBERT - underscoring their suitability for time-sensitive applications. These results underscore the benefits of domain-specific pretraining and architectural improvements for patent-focused NLP tasks.

We study Stochastic Gradient Descent with AdaGrad stepsizes: a popular adaptive (self-tuning) method for first-order stochastic optimization. Despite being well studied, existing analyses of this method suffer from various shortcomings: they either assume some knowledge of the problem parameters, impose strong global Lipschitz conditions, or fail to give bounds that hold with high probability. We provide a comprehensive analysis of this basic method without any of these limitations, in both the convex and non-convex (smooth) cases, that additionally supports a general ``affine variance'' noise model and provides sharp rates of convergence in both the low-noise and high-noise~regimes.

Learning decompositions of expensive-to-evaluate black-box functions promises to scale Bayesian optimisation (BO) to high-dimensional problems. However, the success of these techniques depends on finding proper decompositions that accurately represent the black-box. While previous works learn those decompositions based on data, we investigate data-independent decomposition sampling rules in this paper. We find that data-driven learners of decompositions can be easily misled towards local decompositions that do not hold globally across the search space. Then, we formally show that a random tree-based decomposition sampler exhibits favourable theoretical guarantees that effectively trade off maximal information gain and functional mismatch between the actual black-box and its surrogate as provided by the decomposition. Those results motivate the development of the random decomposition upper-confidence bound algorithm (RDUCB) that is straightforward to implement - (almost) plug-and-play - and, surprisingly, yields significant empirical gains compared to the previous state-of-the-art on a comprehensive set of benchmarks. We also confirm the plug-and-play nature of our modelling component by integrating our method with HEBO, showing improved practical gains in the highest dimensional tasks from Bayesmark.

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by maximising the marginal likelihood. However, this fails to account for uncertainty in the hyperparameters themselves, leading to overconfident model predictions. This uncertainty can be accounted for by taking the Bayesian approach of marginalising out the model hyperparameters. We investigate whether a fully-Bayesian treatment of the Gaussian process hyperparameters in BO (FBBO) leads to improved optimisation performance. Since an analytic approach is intractable, we compare FBBO using three approximate inference schemes to the maximum likelihood approach, using the Expected Improvement (EI) and Upper Confidence Bound (UCB) acquisition functions paired with ARD and isotropic Matern kernels, across 15 well-known benchmark problems for 4 observational noise settings. FBBO using EI with an ARD kernel leads to the best performance in the noise-free setting, with much less difference between combinations of BO components when the noise is increased. FBBO leads to over-exploration with UCB, but is not detrimental with EI. Therefore, we recommend that FBBO using EI with an ARD kernel as the default choice for BO.

Recent advancements in the field of large language models, particularly through the Chain of Thought (CoT) approach, have demonstrated significant improvements in solving complex problems. However, existing models either tend to sacrifice detailed reasoning for brevity due to user preferences, or require extensive and expensive training data to learn complicated reasoning ability, limiting their potential in solving complex tasks. To bridge this gap, following the concept of scaling test-time, we propose a simple method by encouraging models to adopt a more patient reasoning style without the need of introducing new knowledge or skills. To employ a preference optimization approach, we generate detailed reasoning processes as positive examples and simple answers as negative examples, thereby training the model to favor thoroughness in its responses. Our results demonstrate a performance increase of up to 6.7% on GSM8k with training just on a lightweight dataset.

Reinforcement learning from human feedback (RLHF) is a standard approach for fine-tuning large language models to follow instructions. As part of this process, learned reward models are used to approximately model human preferences. However, as imperfect representations of the "true" reward, these learned reward models are susceptible to overoptimization. Gao et al. (2023) studied this phenomenon in a synthetic human feedback setup with a significantly larger "gold" reward model acting as the true reward (instead of humans) and showed that overoptimization remains a persistent problem regardless of the size of the proxy reward model and training data used. Using a similar setup, we conduct a systematic study to evaluate the efficacy of using ensemble-based conservative optimization objectives, specifically worst-case optimization (WCO) and uncertainty-weighted optimization (UWO), for mitigating reward model overoptimization when using two optimization methods: (a) best-of-n sampling (BoN) (b) proximal policy optimization (PPO). We additionally extend the setup of Gao et al. (2023) to include 25% label noise to better mirror real-world conditions. Both with and without label noise, we find that conservative optimization practically eliminates overoptimization and improves performance by up to 70% for BoN sampling. For PPO, ensemble-based conservative optimization always reduces overoptimization and outperforms single reward model optimization. Moreover, combining it with a small KL penalty successfully prevents overoptimization at no performance cost. Overall, our results demonstrate that ensemble-based conservative optimization can effectively counter overoptimization.

Large language models (LLMs) inevitably make mistakes when performing step-by-step mathematical reasoning. Process Reward Models (PRMs) have emerged as a promising solution by evaluating each reasoning step. However, existing PRMs typically output evaluation scores directly, limiting both learning efficiency and evaluation accuracy, which is further exacerbated by the scarcity of annotated data. To address these issues, we propose Reasoning-Driven Process Reward Modeling (R-PRM). First, we leverage stronger LLMs to generate seed data from limited annotations, effectively bootstrapping our model's reasoning capabilities and enabling comprehensive step-by-step evaluation. Second, we further enhance performance through preference optimization, without requiring additional annotated data. Third, we introduce inference-time scaling to fully harness the model's reasoning potential. Extensive experiments demonstrate R-PRM's effectiveness: on ProcessBench and PRMBench, it surpasses strong baselines by 11.9 and 8.5 points in F1 scores, respectively. When applied to guide mathematical reasoning, R-PRM achieves consistent accuracy improvements of over 8.5 points across six challenging datasets. Further analysis reveals that R-PRM exhibits more comprehensive evaluation and stronger generalization capabilities, thereby highlighting its significant potential.

Large language models (LLMs) underpin applications in code generation, mathematical reasoning, and agent-based workflows. In practice, systems access LLMs via commercial APIs or open-source deployments, and the model landscape (e.g., GPT, Claude, Llama) evolves rapidly. This rapid evolution forces frequent model switches driven by capability, cost, deployment constraints, and privacy. Yet prompts are highly model-sensitive: reusing a prompt engineered for one model on another often yields substantially worse performance than a prompt optimized for the target model. We term this phenomenon Model Drifting. Through extensive empirical analysis across diverse LLM configurations, we show that model drifting is both common and severe. To address this challenge, we introduce PromptBridge, a training-free framework that preserves prompt effectiveness under model switches, enabling cross-model prompt transfer without costly per-task or per-model re-optimization. PromptBridge requires only a small set of alignment tasks for calibration. It first applies Model-Adaptive Reflective Prompt Evolution (MAP-RPE) to obtain task- and model-specific optimal prompts via iterative reflective refinement and quantitative evaluation. Using the resulting calibrated prompt pairs for the source and target models, PromptBridge learns a cross-model prompt mapping. At test time, i.e., for an unseen task, given a source-model prompt, this mapping directly produces an optimized prompt for the target model. Experiments in single-agent and multi-agent settings show that PromptBridge consistently improves downstream accuracy while reducing migration effort. The code will be available soon.

We introduce NeRF-GS, a novel framework that jointly optimizes Neural Radiance Fields (NeRF) and 3D Gaussian Splatting (3DGS). This framework leverages the inherent continuous spatial representation of NeRF to mitigate several limitations of 3DGS, including sensitivity to Gaussian initialization, limited spatial awareness, and weak inter-Gaussian correlations, thereby enhancing its performance. In NeRF-GS, we revisit the design of 3DGS and progressively align its spatial features with NeRF, enabling both representations to be optimized within the same scene through shared 3D spatial information. We further address the formal distinctions between the two approaches by optimizing residual vectors for both implicit features and Gaussian positions to enhance the personalized capabilities of 3DGS. Experimental results on benchmark datasets show that NeRF-GS surpasses existing methods and achieves state-of-the-art performance. This outcome confirms that NeRF and 3DGS are complementary rather than competing, offering new insights into hybrid approaches that combine 3DGS and NeRF for efficient 3D scene representation.

Simultaneously odometry and mapping using LiDAR data is an important task for mobile systems to achieve full autonomy in large-scale environments. However, most existing LiDAR-based methods prioritize tracking quality over reconstruction quality. Although the recently developed neural radiance fields (NeRF) have shown promising advances in implicit reconstruction for indoor environments, the problem of simultaneous odometry and mapping for large-scale scenarios using incremental LiDAR data remains unexplored. To bridge this gap, in this paper, we propose a novel NeRF-based LiDAR odometry and mapping approach, NeRF-LOAM, consisting of three modules neural odometry, neural mapping, and mesh reconstruction. All these modules utilize our proposed neural signed distance function, which separates LiDAR points into ground and non-ground points to reduce Z-axis drift, optimizes odometry and voxel embeddings concurrently, and in the end generates dense smooth mesh maps of the environment. Moreover, this joint optimization allows our NeRF-LOAM to be pre-trained free and exhibit strong generalization abilities when applied to different environments. Extensive evaluations on three publicly available datasets demonstrate that our approach achieves state-of-the-art odometry and mapping performance, as well as a strong generalization in large-scale environments utilizing LiDAR data. Furthermore, we perform multiple ablation studies to validate the effectiveness of our network design. The implementation of our approach will be made available at https://github.com/JunyuanDeng/NeRF-LOAM.

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

While generative modeling has become prevalent across numerous research fields, its integration into the realm of image retrieval remains largely unexplored and underjustified. In this paper, we present a novel methodology, reframing image retrieval as a variant of generative modeling and employing a sequence-to-sequence model. This approach is harmoniously aligned with the current trend towards unification in research, presenting a cohesive framework that allows for end-to-end differentiable searching. This, in turn, facilitates superior performance via direct optimization techniques. The development of our model, dubbed IRGen, addresses the critical technical challenge of converting an image into a concise sequence of semantic units, which is pivotal for enabling efficient and effective search. Extensive experiments demonstrate that our model achieves state-of-the-art performance on three widely-used image retrieval benchmarks as well as two million-scale datasets, yielding significant improvement compared to prior competitive retrieval methods. In addition, the notable surge in precision scores facilitated by generative modeling presents the potential to bypass the reranking phase, which is traditionally indispensable in practical retrieval workflows.

We propose Long-LRM, a generalizable 3D Gaussian reconstruction model that is capable of reconstructing a large scene from a long sequence of input images. Specifically, our model can process 32 source images at 960x540 resolution within only 1.3 seconds on a single A100 80G GPU. Our architecture features a mixture of the recent Mamba2 blocks and the classical transformer blocks which allowed many more tokens to be processed than prior work, enhanced by efficient token merging and Gaussian pruning steps that balance between quality and efficiency. Unlike previous feed-forward models that are limited to processing 1~4 input images and can only reconstruct a small portion of a large scene, Long-LRM reconstructs the entire scene in a single feed-forward step. On large-scale scene datasets such as DL3DV-140 and Tanks and Temples, our method achieves performance comparable to optimization-based approaches while being two orders of magnitude more efficient. Project page: https://arthurhero.github.io/projects/llrm

Adversarial training is exploited to develop a robust Deep Neural Network (DNN) model against the malicious altered data. These attacks may have catastrophic effects on DNN models but are indistinguishable for a human being. For example, an external attack can modify an image adding noises invisible for a human eye, but a DNN model misclassified the image. A key objective for developing robust DNN models is to use a learning algorithm that is fast but can also give model that is robust against different types of adversarial attacks. Especially for adversarial training, enormously long training times are needed for obtaining high accuracy under many different types of adversarial samples generated using different adversarial attack techniques. This paper aims at accelerating the adversarial training to enable fast development of robust DNN models against adversarial attacks. The general method for improving the training performance is the hyperparameters fine-tuning, where the learning rate is one of the most crucial hyperparameters. By modifying its shape (the value over time) and value during the training, we can obtain a model robust to adversarial attacks faster than standard training. First, we conduct experiments on two different datasets (CIFAR10, CIFAR100), exploring various techniques. Then, this analysis is leveraged to develop a novel fast training methodology, AccelAT, which automatically adjusts the learning rate for different epochs based on the accuracy gradient. The experiments show comparable results with the related works, and in several experiments, the adversarial training of DNNs using our AccelAT framework is conducted up to 2 times faster than the existing techniques. Thus, our findings boost the speed of adversarial training in an era in which security and performance are fundamental optimization objectives in DNN-based applications.

Learning-based methods have become increasingly popular in 3D indoor scene synthesis (ISS), showing superior performance over traditional optimization-based approaches. These learning-based methods typically model distributions on simple yet explicit scene representations using generative models. However, due to the oversimplified explicit representations that overlook detailed information and the lack of guidance from multimodal relationships within the scene, most learning-based methods struggle to generate indoor scenes with realistic object arrangements and styles. In this paper, we introduce a new method, Scene Implicit Neural Field (S-INF), for indoor scene synthesis, aiming to learn meaningful representations of multimodal relationships, to enhance the realism of indoor scene synthesis. S-INF assumes that the scene layout is often related to the object-detailed information. It disentangles the multimodal relationships into scene layout relationships and detailed object relationships, fusing them later through implicit neural fields (INFs). By learning specialized scene layout relationships and projecting them into S-INF, we achieve a realistic generation of scene layout. Additionally, S-INF captures dense and detailed object relationships through differentiable rendering, ensuring stylistic consistency across objects. Through extensive experiments on the benchmark 3D-FRONT dataset, we demonstrate that our method consistently achieves state-of-the-art performance under different types of ISS.

Distributed training of large models consumes enormous computation resources and requires substantial engineering efforts to compose various training techniques. This paper presents SimpleFSDP, a PyTorch-native compiler-based Fully Sharded Data Parallel (FSDP) framework, which has a simple implementation for maintenance and composability, allows full computation-communication graph tracing, and brings performance enhancement via compiler backend optimizations. SimpleFSDP's novelty lies in its unique torch.compile-friendly implementation of collective communications using existing PyTorch primitives, namely parametrizations, selective activation checkpointing, and DTensor. It also features the first-of-its-kind intermediate representation (IR) nodes bucketing and reordering in the TorchInductor backend for effective computation-communication overlapping. As a result, users can employ the aforementioned optimizations to automatically or manually wrap model components for minimal communication exposure. Extensive evaluations of SimpleFSDP on Llama 3 models (including the ultra-large 405B) using TorchTitan demonstrate up to 28.54% memory reduction and 68.67% throughput improvement compared to the most widely adopted FSDP2 eager framework, when composed with other distributed training techniques.

In this paper, we introduce and apply Operations Research Question Answering (ORQA), a new benchmark designed to assess the generalization capabilities of Large Language Models (LLMs) in the specialized technical domain of Operations Research (OR). This benchmark evaluates whether LLMs can emulate the knowledge and reasoning skills of OR experts when confronted with diverse and complex optimization problems. The dataset, developed by OR experts, features real-world optimization problems that demand multistep reasoning to construct their mathematical models. Our evaluations of various open source LLMs, such as LLaMA 3.1, DeepSeek, and Mixtral, reveal their modest performance, highlighting a gap in their ability to generalize to specialized technical domains. This work contributes to the ongoing discourse on LLMs generalization capabilities, offering valuable insights for future research in this area. The dataset and evaluation code are publicly available.

Instruction tuning for large language models (LLMs) has gained attention from researchers due to its ability to unlock the potential of LLMs in following instructions. While instruction tuning offers advantages for facilitating the adaptation of large language models (LLMs) to downstream tasks as a fine-tuning approach, training models with tens of millions or even billions of parameters on large amounts of data results in unaffordable computational costs. To address this, we focus on reducing the data used in LLM instruction tuning to decrease training costs and improve data efficiency, dubbed as Low Training Data Instruction Tuning (LTD Instruction Tuning). Specifically, this paper conducts a preliminary exploration into reducing the data used in LLM training and identifies several observations regarding task specialization for LLM training, such as the optimization of performance for a specific task, the number of instruction types required for instruction tuning, and the amount of data required for task-specific models. The results suggest that task-specific models can be trained using less than 0.5% of the original dataset, with a 2% improvement in performance over those trained on full task-related data.

Contrastive learning has become an important tool in learning representations from unlabeled data mainly relying on the idea of minimizing distance between positive data pairs, e.g., views from the same images, and maximizing distance between negative data pairs, e.g., views from different images. This paper proposes a new variation of the contrastive learning objective, Group Ordering Constraints (GroCo), that leverages the idea of sorting the distances of positive and negative pairs and computing the respective loss based on how many positive pairs have a larger distance than the negative pairs, and thus are not ordered correctly. To this end, the GroCo loss is based on differentiable sorting networks, which enable training with sorting supervision by matching a differentiable permutation matrix, which is produced by sorting a given set of scores, to a respective ground truth permutation matrix. Applying this idea to groupwise pre-ordered inputs of multiple positive and negative pairs allows introducing the GroCo loss with implicit emphasis on strong positives and negatives, leading to better optimization of the local neighborhood. We evaluate the proposed formulation on various self-supervised learning benchmarks and show that it not only leads to improved results compared to vanilla contrastive learning but also shows competitive performance to comparable methods in linear probing and outperforms current methods in k-NN performance.

In recent years, multilingual pre-trained language models have gained prominence due to their remarkable performance on numerous downstream Natural Language Processing tasks (NLP). However, pre-training these large multilingual language models requires a lot of training data, which is not available for African Languages. Active learning is a semi-supervised learning algorithm, in which a model consistently and dynamically learns to identify the most beneficial samples to train itself on, in order to achieve better optimization and performance on downstream tasks. Furthermore, active learning effectively and practically addresses real-world data scarcity. Despite all its benefits, active learning, in the context of NLP and especially multilingual language models pretraining, has received little consideration. In this paper, we present AfroLM, a multilingual language model pretrained from scratch on 23 African languages (the largest effort to date) using our novel self-active learning framework. Pretrained on a dataset significantly (14x) smaller than existing baselines, AfroLM outperforms many multilingual pretrained language models (AfriBERTa, XLMR-base, mBERT) on various NLP downstream tasks (NER, text classification, and sentiment analysis). Additional out-of-domain sentiment analysis experiments show that AfroLM is able to generalize well across various domains. We release the code source, and our datasets used in our framework at https://github.com/bonaventuredossou/MLM_AL.

Unsupervised feature extraction algorithms form one of the most important building blocks in machine learning systems. These algorithms are often adapted to the event-based domain to perform online learning in neuromorphic hardware. However, not designed for the purpose, such algorithms typically require significant simplification during implementation to meet hardware constraints, creating trade offs with performance. Furthermore, conventional feature extraction algorithms are not designed to generate useful intermediary signals which are valuable only in the context of neuromorphic hardware limitations. In this work a novel event-based feature extraction method is proposed that focuses on these issues. The algorithm operates via simple adaptive selection thresholds which allow a simpler implementation of network homeostasis than previous works by trading off a small amount of information loss in the form of missed events that fall outside the selection thresholds. The behavior of the selection thresholds and the output of the network as a whole are shown to provide uniquely useful signals indicating network weight convergence without the need to access network weights. A novel heuristic method for network size selection is proposed which makes use of noise events and their feature representations. The use of selection thresholds is shown to produce network activation patterns that predict classification accuracy allowing rapid evaluation and optimization of system parameters without the need to run back-end classifiers. The feature extraction method is tested on both the N-MNIST benchmarking dataset and a dataset of airplanes passing through the field of view. Multiple configurations with different classifiers are tested with the results quantifying the resultant performance gains at each processing stage.

Dual-system VLA (Vision-Language-Action) architectures have become a hot topic in embodied intelligence research, but there is a lack of sufficient open-source work for further performance analysis and optimization. To address this problem, this paper will summarize and compare the structural designs of existing dual-system architectures, and conduct systematic empirical evaluations on the core design elements of existing dual-system architectures. Ultimately, it will provide a low-cost open-source model for further exploration. Of course, this project will continue to update with more experimental conclusions and open-source models with improved performance for everyone to choose from. Project page: https://openhelix-robot.github.io/.

In the training of large language models, momentum is widely used and often demonstrated to achieve significant acceleration. However, storing momentum typically presents memory challenges. In this paper, we propose AdaPM, an adaptive training strategy that leverages partial momentum to implement a memory-efficient optimizer. To this end, AdaPM utilizes a non-uniform momentum design: for most blocks, full momentum is not necessary to preserve the performance of the optimization. In the momentum design of AdaPM, to mitigate the bias and performance loss caused by partial momentum, we enhance the partial momentum by a bias correction technique. Empirically, we verify that our approach reduces memory by over 90% in momentum while maintaining both efficiency and performance for pretraining various language models ranging from 60M to 1.5B, as well as for supervised fine-tuning and RLHF. AdaPM can further reduce memory by up to 95% in optimizer states by combining the memory-efficient technique on the second-order statistic, saving over 30% GPU hours for pretraining GPT-2 1.5B.

Embodiment co-design aims to optimize a robot's morphology and control policy simultaneously. While prior work has demonstrated its potential for generating environment-adaptive robots, this field still faces persistent challenges in optimization efficiency due to the (i) combinatorial nature of morphological search spaces and (ii) intricate dependencies between morphology and control. We prove that the ineffective morphology representation and unbalanced reward signals between the design and control stages are key obstacles to efficiency. To advance towards efficient embodiment co-design, we propose BodyGen, which utilizes (1) topology-aware self-attention for both design and control, enabling efficient morphology representation with lightweight model sizes; (2) a temporal credit assignment mechanism that ensures balanced reward signals for optimization. With our findings, Body achieves an average 60.03% performance improvement against state-of-the-art baselines. We provide codes and more results on the website: https://genesisorigin.github.io.

We tackle the problem of estimating a Manhattan frame, i.e. three orthogonal vanishing points, and the unknown focal length of the camera, leveraging a prior vertical direction. The direction can come from an Inertial Measurement Unit that is a standard component of recent consumer devices, e.g., smartphones. We provide an exhaustive analysis of minimal line configurations and derive two new 2-line solvers, one of which does not suffer from singularities affecting existing solvers. Additionally, we design a new non-minimal method, running on an arbitrary number of lines, to boost the performance in local optimization. Combining all solvers in a hybrid robust estimator, our method achieves increased accuracy even with a rough prior. Experiments on synthetic and real-world datasets demonstrate the superior accuracy of our method compared to the state of the art, while having comparable runtimes. We further demonstrate the applicability of our solvers for relative rotation estimation. The code is available at https://github.com/cvg/VP-Estimation-with-Prior-Gravity.

The increasing complexity of machine learning models and the proliferation of diverse hardware architectures (CPUs, GPUs, accelerators) make achieving optimal performance a significant challenge. Heterogeneity in instruction sets, specialized kernel requirements for different data types and model features (e.g., sparsity, quantization), and architecture-specific optimizations complicate performance tuning. Manual optimization is resource-intensive, while existing automatic approaches often rely on complex hardware-specific heuristics and uninterpretable intermediate representations, hindering performance portability. We introduce PerfLLM, a novel automatic optimization methodology leveraging Large Language Models (LLMs) and Reinforcement Learning (RL). Central to this is PerfDojo, an environment framing optimization as an RL game using a human-readable, mathematically-inspired code representation that guarantees semantic validity through transformations. This allows effective optimization without prior hardware knowledge, facilitating both human analysis and RL agent training. We demonstrate PerfLLM's ability to achieve significant performance gains across diverse CPU (x86, Arm, RISC-V) and GPU architectures.

While the concept of entanglement purification protocols (EPPs) is straightforward, the integration of EPPs in network architectures requires careful performance evaluations and optimizations that take into account realistic conditions and imperfections, especially probabilistic entanglement generation and quantum memory decoherence. It is important to understand what is guaranteed to be improved from successful EPP with arbitrary non-identical input, which determines whether we want to perform the EPP at all. When successful EPP can offer improvement, the time to perform the EPP should also be optimized to maximize the improvement. In this work, we study the guaranteed improvement and optimal time for the CNOT-based recurrence EPP, previously shown to be optimal in various scenarios. We firstly prove guaranteed improvement for multiple figures of merit, including fidelity and several entanglement measures when compared to practical baselines as functions of input states. However, it is noteworthy that the guaranteed improvement we prove does not imply the universality of the EPP as introduced in arXiv:2407.21760. Then we prove robust, parameter-independent optimal time for typical error models and figures of merit. We further explore memory decoherence described by continuous-time Pauli channels, and demonstrate the phenomenon of optimal time transition when the memory decoherence error pattern changes. Our work deepens the understanding of EPP performance in realistic scenarios and offers insights into optimizing quantum networks that integrate EPPs.

Large Language Models (LLMs) have become integral to daily life, especially advancing as intelligent assistants through on-device deployment on smartphones. However, existing LLM evaluation benchmarks predominantly focus on objective tasks like mathematics and coding in English, which do not necessarily reflect the practical use cases of on-device LLMs in real-world mobile scenarios, especially for Chinese users. To address these gaps, we introduce SmartBench, the first benchmark designed to evaluate the capabilities of on-device LLMs in Chinese mobile contexts. We analyze functionalities provided by representative smartphone manufacturers and divide them into five categories: text summarization, text Q&A, information extraction, content creation, and notification management, further detailed into 20 specific tasks. For each task, we construct high-quality datasets comprising 50 to 200 question-answer pairs that reflect everyday mobile interactions, and we develop automated evaluation criteria tailored for these tasks. We conduct comprehensive evaluations of on-device LLMs and MLLMs using SmartBench and also assess their performance after quantized deployment on real smartphone NPUs. Our contributions provide a standardized framework for evaluating on-device LLMs in Chinese, promoting further development and optimization in this critical area. Code and data will be available at https://github.com/vivo-ai-lab/SmartBench.

Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is capable of understanding and responding in multiple modalities. However, the advanced capability currently comes with significant system resource demands. To sustainably scale generative AI capabilities to billions of users in the world, inference must be fast and efficient. This paper pinpoints key system design and optimization opportunities by characterizing a family of emerging multi-modal generation models on real systems. Auto-regressive token generation is a critical latency performance bottleneck, typically dominated by GPU idle time. In addition to memory-intensive attention across the generative AI models, linear operations constitute significant inference latency due to the feed forward networks in Transformer-based models. We demonstrate that state-of-the-art optimization levers, spanning from applications to system software and hardware, set a 3.88x better baseline.

We introduce fastcoref, a python package for fast, accurate, and easy-to-use English coreference resolution. The package is pip-installable, and allows two modes: an accurate mode based on the LingMess architecture, providing state-of-the-art coreference accuracy, and a substantially faster model, F-coref, which is the focus of this work. F-coref allows to process 2.8K OntoNotes documents in 25 seconds on a V100 GPU (compared to 6 minutes for the LingMess model, and to 12 minutes of the popular AllenNLP coreference model) with only a modest drop in accuracy. The fast speed is achieved through a combination of distillation of a compact model from the LingMess model, and an efficient batching implementation using a technique we call leftover batching. Our code is available at https://github.com/shon-otmazgin/fastcoref

Moderate-sized large language models (LLMs) -- those with 7B or 13B parameters -- exhibit promising machine translation (MT) performance. However, even the top-performing 13B LLM-based translation models, like ALMA, does not match the performance of state-of-the-art conventional encoder-decoder translation models or larger-scale LLMs such as GPT-4. In this study, we bridge this performance gap. We first assess the shortcomings of supervised fine-tuning for LLMs in the MT task, emphasizing the quality issues present in the reference data, despite being human-generated. Then, in contrast to SFT which mimics reference translations, we introduce Contrastive Preference Optimization (CPO), a novel approach that trains models to avoid generating adequate but not perfect translations. Applying CPO to ALMA models with only 22K parallel sentences and 12M parameters yields significant improvements. The resulting model, called ALMA-R, can match or exceed the performance of the WMT competition winners and GPT-4 on WMT'21, WMT'22 and WMT'23 test datasets.

Recently, Direct Preference Optimization (DPO) has extended its success from aligning large language models (LLMs) to aligning text-to-image diffusion models with human preferences. Unlike most existing DPO methods that assume all diffusion steps share a consistent preference order with the final generated images, we argue that this assumption neglects step-specific denoising performance and that preference labels should be tailored to each step's contribution. To address this limitation, we propose Step-aware Preference Optimization (SPO), a novel post-training approach that independently evaluates and adjusts the denoising performance at each step, using a step-aware preference model and a step-wise resampler to ensure accurate step-aware supervision. Specifically, at each denoising step, we sample a pool of images, find a suitable win-lose pair, and, most importantly, randomly select a single image from the pool to initialize the next denoising step. This step-wise resampler process ensures the next win-lose image pair comes from the same image, making the win-lose comparison independent of the previous step. To assess the preferences at each step, we train a separate step-aware preference model that can be applied to both noisy and clean images. Our experiments with Stable Diffusion v1.5 and SDXL demonstrate that SPO significantly outperforms the latest Diffusion-DPO in aligning generated images with complex, detailed prompts and enhancing aesthetics, while also achieving more than 20x times faster in training efficiency. Code and model: https://rockeycoss.github.io/spo.github.io/

Large Language Models (LLMs) have shown significant capability across various tasks, with their real-world effectiveness often driven by prompt design. While recent research has focused on optimizing prompt content, the role of prompt formatting, a critical but often overlooked dimension, has received limited systematic investigation. In this paper, we introduce Content-Format Integrated Prompt Optimization (CFPO), an innovative methodology that jointly optimizes both prompt content and formatting through an iterative refinement process. CFPO leverages natural language mutations to explore content variations and employs a dynamic format exploration strategy that systematically evaluates diverse format options. Our extensive evaluations across multiple tasks and open-source LLMs demonstrate that CFPO demonstrates measurable performance improvements compared to content-only optimization methods. This highlights the importance of integrated content-format optimization and offers a practical, model-agnostic approach to enhancing LLM performance. Code will be available at https://github.com/HenryLau7/CFPO.

Large language models (LLMs) have transformed software development through code generation capabilities, yet their effectiveness for high-performance computing (HPC) remains limited. HPC code requires specialized optimizations for parallelism, memory efficiency, and architecture-specific considerations that general-purpose LLMs often overlook. We present MARCO (Multi-Agent Reactive Code Optimizer), a novel framework that enhances LLM-generated code for HPC through a specialized multi-agent architecture. MARCO employs separate agents for code generation and performance evaluation, connected by a feedback loop that progressively refines optimizations. A key innovation is MARCO's web-search component that retrieves real-time optimization techniques from recent conference proceedings and research publications, bridging the knowledge gap in pre-trained LLMs. Our extensive evaluation on the LeetCode 75 problem set demonstrates that MARCO achieves a 14.6\% average runtime reduction compared to Claude 3.5 Sonnet alone, while the integration of the web-search component yields a 30.9\% performance improvement over the base MARCO system. These results highlight the potential of multi-agent systems to address the specialized requirements of high-performance code generation, offering a cost-effective alternative to domain-specific model fine-tuning.

Large Language Models (LLMs) have shown impressive capabilities in many scenarios, but their performance depends, in part, on the choice of prompt. Past research has focused on optimizing prompts specific to a task. However, much less attention has been given to optimizing the general instructions included in a prompt, known as a system prompt. To address this gap, we propose SPRIG, an edit-based genetic algorithm that iteratively constructs prompts from prespecified components to maximize the model's performance in general scenarios. We evaluate the performance of system prompts on a collection of 47 different types of tasks to ensure generalizability. Our study finds that a single optimized system prompt performs on par with task prompts optimized for each individual task. Moreover, combining system and task-level optimizations leads to further improvement, which showcases their complementary nature. Experiments also reveal that the optimized system prompts generalize effectively across model families, parameter sizes, and languages. This study provides insights into the role of system-level instructions in maximizing LLM potential.

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

This work proposes a framework for optimizing machine learning algorithms. The practicality of the framework is illustrated using an important case study from the healthcare domain, which is predicting the admission status of emergency department (ED) patients (e.g., admitted vs. discharged) using patient data at the time of triage. The proposed framework can mitigate the crowding problem by proactively planning the patient boarding process. A large retrospective dataset of patient records is obtained from the electronic health record database of all ED visits over three years from three major locations of a healthcare provider in the Midwest of the US. Three machine learning algorithms are proposed: T-XGB, T-ADAB, and T-MLP. T-XGB integrates extreme gradient boosting (XGB) and Tabu Search (TS), T-ADAB integrates Adaboost and TS, and T-MLP integrates multi-layer perceptron (MLP) and TS. The proposed algorithms are compared with the traditional algorithms: XGB, ADAB, and MLP, in which their parameters are tunned using grid search. The three proposed algorithms and the original ones are trained and tested using nine data groups that are obtained from different feature selection methods. In other words, 54 models are developed. Performance was evaluated using five measures: Area under the curve (AUC), sensitivity, specificity, F1, and accuracy. The results show that the newly proposed algorithms resulted in high AUC and outperformed the traditional algorithms. The T-ADAB performs the best among the newly developed algorithms. The AUC, sensitivity, specificity, F1, and accuracy of the best model are 95.4%, 99.3%, 91.4%, 95.2%, 97.2%, respectively.

High-performance sparse matrix-matrix (SpMM) multiplication is paramount for science and industry, as the ever-increasing sizes of data prohibit using dense data structures. Yet, existing hardware, such as Tensor Cores (TC), is ill-suited for SpMM, as it imposes strict constraints on data structures that cannot be met by unstructured sparsity found in many applications. To address this, we introduce (S)parse (Ma)trix Matrix (T)ensor Core-accelerated (SMaT): a novel SpMM library that utilizes TCs for unstructured sparse matrices. Our block-sparse library leverages the low-level CUDA MMA (matrix-matrix-accumulate) API, maximizing the performance offered by modern GPUs. Algorithmic optimizations such as sparse matrix permutation further improve performance by minimizing the number of non-zero blocks. The evaluation on NVIDIA A100 shows that SMaT outperforms SotA libraries (DASP, cuSPARSE, and Magicube) by up to 125x (on average 2.6x). SMaT can be used to accelerate many workloads in scientific computing, large-model training, inference, and others.

In modern logistics management systems, route planning requires high efficiency. The Open Capacitated Vehicle Routing Problem (OCVRP) deals with finding optimal delivery routes for a fleet of vehicles serving geographically distributed customers, without requiring the vehicles to return to the depot after deliveries. The present study is comparative in nature and speaks of two algorithms for OCVRP solution: Ant Colony Optimization (ACO), a nature-inspired metaheuristic; and Google OR-Tools, an industry-standard toolkit for optimization. Both implementations were developed in Python and using a custom dataset. Performance appraisal was based on routing efficiency, computation time, and scalability. The results show that ACO allows flexibility in routing parameters while OR-Tools runs much faster with more consistency and requires less input. This could help choose among routing strategies for scalable real-time logistics systems.

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the effectiveness of five hyperparameter optimization (HPO) algorithms -- Random Search, Covariance Matrix Adaptation Evolution Strategy (CMA--ES), Bayesian Optimization, Partial Swarm Optimization (PSO), and Nevergrad Optimizer (NGOpt) across univariate and multivariate Short-Term Load Forecasting (STLF) tasks. Using the Panama Electricity dataset (n=48,049), we evaluate HPO algorithms' performances on a surrogate forecasting algorithm, XGBoost, in terms of accuracy (i.e., MAPE, R^2) and runtime. Performance plots visualize these metrics across varying sample sizes from 1,000 to 20,000, and Kruskal--Wallis tests assess the statistical significance of the performance differences. Results reveal significant runtime advantages for HPO algorithms over Random Search. In univariate models, Bayesian optimization exhibited the lowest accuracy among the tested methods. This study provides valuable insights for optimizing XGBoost in the STLF context and identifies areas for future research.

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that TA outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. By significantly improving performance and inference efficiency, DOM enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

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

Policy optimization methods with function approximation are widely used in multi-agent reinforcement learning. However, it remains elusive how to design such algorithms with statistical guarantees. Leveraging a multi-agent performance difference lemma that characterizes the landscape of multi-agent policy optimization, we find that the localized action value function serves as an ideal descent direction for each local policy. Motivated by the observation, we present a multi-agent PPO algorithm in which the local policy of each agent is updated similarly to vanilla PPO. We prove that with standard regularity conditions on the Markov game and problem-dependent quantities, our algorithm converges to the globally optimal policy at a sublinear rate. We extend our algorithm to the off-policy setting and introduce pessimism to policy evaluation, which aligns with experiments. To our knowledge, this is the first provably convergent multi-agent PPO algorithm in cooperative Markov games.

Bayesian optimization (BO) has contributed greatly to improving model performance by suggesting promising hyperparameter configurations iteratively based on observations from multiple training trials. However, only partial knowledge (i.e., the measured performances of trained models and their hyperparameter configurations) from previous trials is transferred. On the other hand, Self-Distillation (SD) only transfers partial knowledge learned by the task model itself. To fully leverage the various knowledge gained from all training trials, we propose the BOSS framework, which combines BO and SD. BOSS suggests promising hyperparameter configurations through BO and carefully selects pre-trained models from previous trials for SD, which are otherwise abandoned in the conventional BO process. BOSS achieves significantly better performance than both BO and SD in a wide range of tasks including general image classification, learning with noisy labels, semi-supervised learning, and medical image analysis tasks.

Supervised Fine-Tuning (SFT) has been a go-to and effective method for enhancing long chain-of-thought (CoT) reasoning in relatively small LLMs by fine-tuning them with long CoT responses from larger LLMs. To continually improve reasoning abilities, we can either collect new high-quality long CoT reasoning SFT data or repeatedly train on existing SFT datasets. However, acquiring new long CoT SFT data is costly and limited, while repeated training often results in a performance plateau or decline. To further boost the performance with the SFT data, we propose Thinking Preference Optimization (ThinkPO), a simple yet effective post-SFT method that enhances long CoT reasoning without requiring new long CoT responses. Instead, ThinkPO utilizes readily available or easily obtainable short CoT reasoning responses as rejected answers and long CoT responses as chosen answers for the same question. It then applies direct preference optimization to encourage the model to favor longer reasoning outputs. Experiments show that ThinkPO further improves the reasoning performance of SFT-ed models, e.g. it increases math reasoning accuracy of SFT-ed models by 8.6% and output length by 25.9%. Notably, ThinkPO is capable of continually boosting the performance of the publicly distilled SFT model, e.g., increasing the official DeepSeek-R1-Distill-Qwen-7B's performance on MATH500 from 87.4% to 91.2%.

Transformers have become the dominant model in deep learning, but the reason for their superior performance is poorly understood. Here, we hypothesize that the strong performance of Transformers stems from an architectural bias towards mesa-optimization, a learned process running within the forward pass of a model consisting of the following two steps: (i) the construction of an internal learning objective, and (ii) its corresponding solution found through optimization. To test this hypothesis, we reverse-engineer a series of autoregressive Transformers trained on simple sequence modeling tasks, uncovering underlying gradient-based mesa-optimization algorithms driving the generation of predictions. Moreover, we show that the learned forward-pass optimization algorithm can be immediately repurposed to solve supervised few-shot tasks, suggesting that mesa-optimization might underlie the in-context learning capabilities of large language models. Finally, we propose a novel self-attention layer, the mesa-layer, that explicitly and efficiently solves optimization problems specified in context. We find that this layer can lead to improved performance in synthetic and preliminary language modeling experiments, adding weight to our hypothesis that mesa-optimization is an important operation hidden within the weights of trained Transformers.

With the rising popularity of Large Language Models (LLMs), there has been an increasing interest in compression techniques that enable their efficient deployment. This study focuses on the Post-Training Quantization (PTQ) of LLMs. Drawing from recent advances, our work introduces QuantEase, a layer-wise quantization framework where individual layers undergo separate quantization. The problem is framed as a discrete-structured non-convex optimization, prompting the development of algorithms rooted in Coordinate Descent (CD) techniques. These CD-based methods provide high-quality solutions to the complex non-convex layer-wise quantization problems. Notably, our CD-based approach features straightforward updates, relying solely on matrix and vector operations, circumventing the need for matrix inversion or decomposition. We also explore an outlier-aware variant of our approach, allowing for retaining significant weights (outliers) with complete precision. Our proposal attains state-of-the-art performance in terms of perplexity and zero-shot accuracy in empirical evaluations across various LLMs and datasets, with relative improvements up to 15% over methods such as GPTQ. Leveraging careful linear algebra optimizations, QuantEase can quantize models like Falcon-180B on a single NVIDIA A100 GPU in sim3 hours. Particularly noteworthy is our outlier-aware algorithm's capability to achieve near or sub-3-bit quantization of LLMs with an acceptable drop in accuracy, obviating the need for non-uniform quantization or grouping techniques, improving upon methods such as SpQR by up to two times in terms of perplexity.

Recent advancements in large language models have opened new possibilities for generative molecular drug design. We present Chemlactica and Chemma, two language models fine-tuned on a novel corpus of 110M molecules with computed properties, totaling 40B tokens. These models demonstrate strong performance in generating molecules with specified properties and predicting new molecular characteristics from limited samples. We introduce a novel optimization algorithm that leverages our language models to optimize molecules for arbitrary properties given limited access to a black box oracle. Our approach combines ideas from genetic algorithms, rejection sampling, and prompt optimization. It achieves state-of-the-art performance on multiple molecular optimization benchmarks, including an 8% improvement on Practical Molecular Optimization compared to previous methods. We publicly release the training corpus, the language models and the optimization algorithm.

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

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian optimization to adaptively select configurations, we focus on speeding up random search through adaptive resource allocation and early-stopping. We formulate hyperparameter optimization as a pure-exploration non-stochastic infinite-armed bandit problem where a predefined resource like iterations, data samples, or features is allocated to randomly sampled configurations. We introduce a novel algorithm, Hyperband, for this framework and analyze its theoretical properties, providing several desirable guarantees. Furthermore, we compare Hyperband with popular Bayesian optimization methods on a suite of hyperparameter optimization problems. We observe that Hyperband can provide over an order-of-magnitude speedup over our competitor set on a variety of deep-learning and kernel-based learning problems.

The performance of Large Language Models (LLMs) is based on the quality of the prompts and the semantic and structural integrity information of the input data. However, current prompt generation methods primarily focus on generating prompts for clean input data, often overlooking the impact of perturbed inputs on prompt performance. To address this limitation, we propose BATprompt (By Adversarial Training prompt), a novel method for prompt generation designed to withstand input perturbations (such as typos in the input). Inspired by adversarial training techniques, BATprompt demonstrates strong performance on a variety of perturbed tasks through a two-step process: adversarial perturbation and iterative optimization on unperturbed input via LLM. Unlike conventional adversarial attack methods, BATprompt avoids reliance on real gradients or model parameters. Instead, it leverages the advanced reasoning, language understanding and self reflection capabilities of LLMs to simulate gradients, guiding the generation of adversarial perturbations and optimizing prompt performance. In our experiments, we evaluate BATprompt on multiple datasets across both language understanding and generation tasks. The results indicate that BATprompt outperforms existing prompt generation methods, delivering superior robustness and performance under diverse perturbation scenarios.

The impressive performance of Large Language Models (LLMs) across various natural language processing tasks comes at the cost of vast computational resources and storage requirements. One-shot pruning techniques offer a way to alleviate these burdens by removing redundant weights without the need for retraining. Yet, the massive scale of LLMs often forces current pruning approaches to rely on heuristics instead of optimization-based techniques, potentially resulting in suboptimal compression. In this paper, we introduce ALPS, an optimization-based framework that tackles the pruning problem using the operator splitting technique and a preconditioned conjugate gradient-based post-processing step. Our approach incorporates novel techniques to accelerate and theoretically guarantee convergence while leveraging vectorization and GPU parallelism for efficiency. ALPS substantially outperforms state-of-the-art methods in terms of the pruning objective and perplexity reduction, particularly for highly sparse models. On the OPT-30B model with 70% sparsity, ALPS achieves a 13% reduction in test perplexity on the WikiText dataset and a 19% improvement in zero-shot benchmark performance compared to existing methods.

Portfolio optimization has been an area that has attracted considerable attention from the financial research community. Designing a profitable portfolio is a challenging task involving precise forecasting of future stock returns and risks. This chapter presents a comparative study of three portfolio design approaches, the mean-variance portfolio (MVP), hierarchical risk parity (HRP)-based portfolio, and autoencoder-based portfolio. These three approaches to portfolio design are applied to the historical prices of stocks chosen from ten thematic sectors listed on the National Stock Exchange (NSE) of India. The portfolios are designed using the stock price data from January 1, 2018, to December 31, 2021, and their performances are tested on the out-of-sample data from January 1, 2022, to December 31, 2022. Extensive results are analyzed on the performance of the portfolios. It is observed that the performance of the MVP portfolio is the best on the out-of-sample data for the risk-adjusted returns. However, the autoencoder portfolios outperformed their counterparts on annual returns.

The accuracy of classical force fields (FFs) has been shown to be limited for the simulation of cation-protein systems despite their importance in understanding the processes of life. Improvements can result from optimizing the parameters of classical FFs or by extending the FF formulation by terms describing charge transfer and polarization effects. In this work, we introduce our implementation of the CTPOL model in OpenMM, which extends the classical additive FF formula by adding charge transfer (CT) and polarization (POL). Furthermore, we present an open-source parameterization tool, called FFAFFURR that enables the (system specific) parameterization of OPLS-AA and CTPOL models. The performance of our workflow was evaluated by its ability to reproduce quantum chemistry energies and by molecular dynamics simulations of a Zinc finger protein.

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually-crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under explored. We address this by performing LLM-driven objective discovery to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously-evaluated performance metrics. This process leads to the discovery of previously-unknown and performant preference optimization algorithms. The best performing of these we call Discovered Preference Optimization (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.

Large Language Models (LLMs) have shown impressive performance as general purpose agents, but their abilities remain highly dependent on prompts which are hand written with onerous trial-and-error effort. We propose a simple and nonparametric solution to this problem, Automatic Prompt Optimization (APO), which is inspired by numerical gradient descent to automatically improve prompts, assuming access to training data and an LLM API. The algorithm uses minibatches of data to form natural language ``gradients'' that criticize the current prompt. The gradients are then ``propagated'' into the prompt by editing the prompt in the opposite semantic direction of the gradient. These gradient descent steps are guided by a beam search and bandit selection procedure which significantly improves algorithmic efficiency. Preliminary results across three benchmark NLP tasks and the novel problem of LLM jailbreak detection suggest that Automatic Prompt Optimization can outperform prior prompt editing techniques and improve an initial prompt's performance by up to 31\%, by using data to rewrite vague task descriptions into more precise annotation instructions.

Training large deep neural networks on massive datasets is computationally very challenging. There has been recent surge in interest in using large batch stochastic optimization methods to tackle this issue. The most prominent algorithm in this line of research is LARS, which by employing layerwise adaptive learning rates trains ResNet on ImageNet in a few minutes. However, LARS performs poorly for attention models like BERT, indicating that its performance gains are not consistent across tasks. In this paper, we first study a principled layerwise adaptation strategy to accelerate training of deep neural networks using large mini-batches. Using this strategy, we develop a new layerwise adaptive large batch optimization technique called LAMB; we then provide convergence analysis of LAMB as well as LARS, showing convergence to a stationary point in general nonconvex settings. Our empirical results demonstrate the superior performance of LAMB across various tasks such as BERT and ResNet-50 training with very little hyperparameter tuning. In particular, for BERT training, our optimizer enables use of very large batch sizes of 32868 without any degradation of performance. By increasing the batch size to the memory limit of a TPUv3 Pod, BERT training time can be reduced from 3 days to just 76 minutes (Table 1). The LAMB implementation is available at https://github.com/tensorflow/addons/blob/master/tensorflow_addons/optimizers/lamb.py

Preference optimization is a standard approach to fine-tuning large language models to align with human preferences. The quality, diversity, and quantity of the preference dataset are critical to the effectiveness of preference optimization. However, obtaining a large amount of high-quality and diverse preference annotations is difficult in many applications. This raises the question of how to use the limited annotation budget to create an effective preference dataset. To this end, we propose Annotation-Efficient Preference Optimization (AEPO). Instead of exhaustively annotating preference over all available response texts, AEPO selects a subset of responses that maximizes quality and diversity from the available responses, and then annotates preference over the selected ones. In this way, AEPO focuses the annotation budget on labeling preference over a smaller subset of responses with diversity and of high quality. We evaluate the performance of Direct Preference Optimization (DPO) using AEPO and show that it outperforms models trained using a standard DPO with the same annotation budget. Our code is available at https://github.com/CyberAgentAILab/annotation-efficient-po

Molecular conformation optimization is crucial to computer-aided drug discovery and materials design. Traditional energy minimization techniques rely on iterative optimization methods that use molecular forces calculated by a physical simulator (oracle) as anti-gradients. However, this is a computationally expensive approach that requires many interactions with a physical simulator. One way to accelerate this procedure is to replace the physical simulator with a neural network. Despite recent progress in neural networks for molecular conformation energy prediction, such models are prone to distribution shift, leading to inaccurate energy minimization. We find that the quality of energy minimization with neural networks can be improved by providing optimization trajectories as additional training data. Still, it takes around 5 times 10^5 additional conformations to match the physical simulator's optimization quality. In this work, we present the Gradual Optimization Learning Framework (GOLF) for energy minimization with neural networks that significantly reduces the required additional data. The framework consists of an efficient data-collecting scheme and an external optimizer. The external optimizer utilizes gradients from the energy prediction model to generate optimization trajectories, and the data-collecting scheme selects additional training data to be processed by the physical simulator. Our results demonstrate that the neural network trained with GOLF performs on par with the oracle on a benchmark of diverse drug-like molecules using 50x less additional data.

This paper presents a comparative analysis of the performances of three portfolio optimization approaches. Three approaches of portfolio optimization that are considered in this work are the mean-variance portfolio (MVP), hierarchical risk parity (HRP) portfolio, and reinforcement learning-based portfolio. The portfolios are trained and tested over several stock data and their performances are compared on their annual returns, annual risks, and Sharpe ratios. In the reinforcement learning-based portfolio design approach, the deep Q learning technique has been utilized. Due to the large number of possible states, the construction of the Q-table is done using a deep neural network. The historical prices of the 50 premier stocks from the Indian stock market, known as the NIFTY50 stocks, and several stocks from 10 important sectors of the Indian stock market are used to create the environment for training the agent.

Transformers have become keystone models in natural language processing over the past decade. They have achieved great popularity in deep learning applications, but the increasing sizes of the parameter spaces required by transformer models generate a commensurate need to accelerate performance. Natural language processing problems are also routinely faced with variable-length sequences, as word counts commonly vary among sentences. Existing deep learning frameworks pad variable-length sequences to a maximal length, which adds significant memory and computational overhead. In this paper, we present ByteTransformer, a high-performance transformer boosted for variable-length inputs. We propose a padding-free algorithm that liberates the entire transformer from redundant computations on zero padded tokens. In addition to algorithmic-level optimization, we provide architecture-aware optimizations for transformer functional modules, especially the performance-critical algorithm Multi-Head Attention (MHA). Experimental results on an NVIDIA A100 GPU with variable-length sequence inputs validate that our fused MHA outperforms PyTorch by 6.13x. The end-to-end performance of ByteTransformer for a forward BERT transformer surpasses state-of-the-art transformer frameworks, such as PyTorch JIT, TensorFlow XLA, Tencent TurboTransformer, Microsoft DeepSpeed-Inference and NVIDIA FasterTransformer, by 87\%, 131\%, 138\%, 74\% and 55\%, respectively. We also demonstrate the general applicability of our optimization methods to other BERT-like models, including ALBERT, DistilBERT, and DeBERTa.

Policy constraint methods to offline reinforcement learning (RL) typically utilize parameterization or regularization that constrains the policy to perform actions within the support set of the behavior policy. The elaborative designs of parameterization methods usually intrude into the policy networks, which may bring extra inference cost and cannot take full advantage of well-established online methods. Regularization methods reduce the divergence between the learned policy and the behavior policy, which may mismatch the inherent density-based definition of support set thereby failing to avoid the out-of-distribution actions effectively. This paper presents Supported Policy OpTimization (SPOT), which is directly derived from the theoretical formalization of the density-based support constraint. SPOT adopts a VAE-based density estimator to explicitly model the support set of behavior policy and presents a simple but effective density-based regularization term, which can be plugged non-intrusively into off-the-shelf off-policy RL algorithms. SPOT achieves the state-of-the-art performance on standard benchmarks for offline RL. Benefiting from the pluggable design, offline pretrained models from SPOT can also be applied to perform online fine-tuning seamlessly.

Optimization in machine learning, both theoretical and applied, is presently dominated by first-order gradient methods such as stochastic gradient descent. Second-order optimization methods, that involve second derivatives and/or second order statistics of the data, are far less prevalent despite strong theoretical properties, due to their prohibitive computation, memory and communication costs. In an attempt to bridge this gap between theoretical and practical optimization, we present a scalable implementation of a second-order preconditioned method (concretely, a variant of full-matrix Adagrad), that along with several critical algorithmic and numerical improvements, provides significant convergence and wall-clock time improvements compared to conventional first-order methods on state-of-the-art deep models. Our novel design effectively utilizes the prevalent heterogeneous hardware architecture for training deep models, consisting of a multicore CPU coupled with multiple accelerator units. We demonstrate superior performance compared to state-of-the-art on very large learning tasks such as machine translation with Transformers, language modeling with BERT, click-through rate prediction on Criteo, and image classification on ImageNet with ResNet-50.