Daily Papers

Efficient neural network backbones for mobile devices are often optimized for metrics such as FLOPs or parameter count. However, these metrics may not correlate well with latency of the network when deployed on a mobile device. Therefore, we perform extensive analysis of different metrics by deploying several mobile-friendly networks on a mobile device. We identify and analyze architectural and optimization bottlenecks in recent efficient neural networks and provide ways to mitigate these bottlenecks. To this end, we design an efficient backbone MobileOne, with variants achieving an inference time under 1 ms on an iPhone12 with 75.9% top-1 accuracy on ImageNet. We show that MobileOne achieves state-of-the-art performance within the efficient architectures while being many times faster on mobile. Our best model obtains similar performance on ImageNet as MobileFormer while being 38x faster. Our model obtains 2.3% better top-1 accuracy on ImageNet than EfficientNet at similar latency. Furthermore, we show that our model generalizes to multiple tasks - image classification, object detection, and semantic segmentation with significant improvements in latency and accuracy as compared to existing efficient architectures when deployed on a mobile device. Code and models are available at https://github.com/apple/ml-mobileone

While large language models (LLMs) dominate the AI landscape, Small-scale large Language Models (SLMs) are gaining attention due to cost and efficiency demands from consumers. However, there is limited research on the training behavior and computational requirements of SLMs. In this study, we explore the computational bottlenecks of training SLMs (up to 2B parameters) by examining the effects of various hyperparameters and configurations, including GPU type, batch size, model size, communication protocol, attention type, and the number of GPUs. We assess these factors on popular cloud services using metrics such as loss per dollar and tokens per second. Our findings aim to support the broader adoption and optimization of language model training for low-resource AI research institutes.

Owing to the huge success of generative artificial intelligence (AI), large language models (LLMs) have emerged as a core subclass, underpinning applications such as question answering, text generation, and code completion. While fine-tuning these models on domain-specific data can yield significant performance gains, it also poses daunting computational challenges, especially for researchers and small organizations with limited hardware resources. Although SSD offloading (i.e., ZeRO-Infinity) has emerged as a viable strategy to overcome the GPU memory barrier via leveraging both system memory (i.e., CPU DRAM) and storage space (i.e., solid-state devices, SSDs), its design primarily targets model-centric performance issues. As a result, key system-level issues, including system memory fragmentation, inefficient pinned buffer allocation, peak CPU usage spikes, and file system overhead, remain unaddressed, stifling scalability and inflating costs. Such an observation motivates this paper to introduce MemAscend, a framework that systematically tackles the underexplored system memory bottlenecks in SSD-offloaded LLM training, with a focus on resource-constrained environments. By streamlining pinned-memory allocation, eradicating fragmentation, and mitigating peak overhead, MemAscend reclaims a substantial system memory budget, enabling larger models, longer context windows, and higher batch sizes without exceeding modest hardware limits. Across diverse LLM benchmarks, MemAscend reduces peak system-memory consumption by an average of 55.7% compared with standard SSD offloading techniques, lowering the hardware barrier for fine-tuning and unlocking new possibilities for cost-effective large-scale training on limited-resource machines.

High-performance GPU kernel optimization remains a critical yet labor-intensive task in modern machine learning workloads. Although Triton, a domain-specific language for GPU programming, enables developers to write efficient kernels with concise code, achieving expert-level performance still requires deep understanding of GPU architectures and low-level performance trade-offs. We present TritonForge, a profiling-guided framework for automated Triton kernel optimization. TritonForge integrates kernel analysis, runtime profiling, and iterative code transformation to streamline the optimization process. By incorporating feedback from profiling results, the system identifies performance bottlenecks, proposes targeted code modifications, and evaluates their impact automatically. Across diverse kernel types, TritonForge achieves up to 5x performance improvement over baseline implementations and on average 1.76x of the cases are successful, providing a foundation for future research in automated GPU performance optimization.

The exponential growth in demand for GPU computing resources, driven by the rapid advancement of Large Language Models, has created an urgent need for automated CUDA optimization strategies. While recent advances in LLMs show promise for code generation, current SOTA models (e.g. R1, o1) achieve low success rates in improving CUDA speed. In this paper, we introduce CUDA-L1, an automated reinforcement learning framework for CUDA optimization. CUDA-L1 achieves performance improvements on the CUDA optimization task: trained on NVIDIA A100, it delivers an average speedup of x17.7 across all 250 CUDA kernels of KernelBench, with peak speedups reaching x449. Furthermore, the model also demonstrates excellent portability across GPU architectures, achieving average speedups of x17.8 on H100, x19.0 on RTX 3090, x16.5 on L40, x14.7 on H800, and x13.9 on H20 despite being optimized specifically for A100. Beyond these benchmark results, CUDA-L1 demonstrates several remarkable properties: 1) Discovers a variety of CUDA optimization techniques and learns to combine them strategically to achieve optimal performance; 2) Uncovers fundamental principles of CUDA optimization; 3) Identifies non-obvious performance bottlenecks and rejects seemingly beneficial optimizations that harm performance. The capabilities of CUDA-L1 demonstrate that reinforcement learning can transform an initially poor-performing LLM into an effective CUDA optimizer through speedup-based reward signals alone, without human expertise or domain knowledge. More importantly, the trained RL model extend the acquired reasoning abilities to new kernels. This paradigm opens possibilities for automated optimization of CUDA operations, and holds promise to substantially promote GPU efficiency and alleviate the rising pressure on GPU computing resources.

Developing high-performance software is a complex task that requires specialized expertise. We introduce GSO, a benchmark for evaluating language models' capabilities in developing high-performance software. We develop an automated pipeline that generates and executes performance tests to analyze repository commit histories to identify 102 challenging optimization tasks across 10 codebases, spanning diverse domains and programming languages. An agent is provided with a codebase and performance test as a precise specification, and tasked to improve the runtime efficiency, which is measured against the expert developer optimization. Our quantitative evaluation reveals that leading SWE-Agents struggle significantly, achieving less than 5% success rate, with limited improvements even with inference-time scaling. Our qualitative analysis identifies key failure modes, including difficulties with low-level languages, practicing lazy optimization strategies, and challenges in accurately localizing bottlenecks. We release the code and artifacts of our benchmark along with agent trajectories to enable future research.

Reinforcement learning from human feedback (RLHF) has emerged as a central tool for language model alignment. We consider online exploration in RLHF, which exploits interactive access to human or AI feedback by deliberately encouraging the model to produce diverse, maximally informative responses. By allowing RLHF to confidently stray from the pre-trained model, online exploration offers the possibility of novel, potentially super-human capabilities, but its full potential as a paradigm for language model training has yet to be realized, owing to computational and statistical bottlenecks in directly adapting existing reinforcement learning techniques. We propose a new algorithm for online exploration in RLHF, Exploratory Preference Optimization (XPO), which is simple and practical -- a one-line change to (online) Direct Preference Optimization (DPO; Rafailov et al., 2023) -- yet enjoys the strongest known provable guarantees and promising empirical performance. XPO augments the DPO objective with a novel and principled exploration bonus, empowering the algorithm to explore outside the support of the initial model and human feedback data. In theory, we show that XPO is provably sample-efficient and converges to a near-optimal language model policy under natural exploration conditions, irrespective of whether the initial model has good coverage. Our analysis, which builds on the observation that DPO implicitly performs a form of Q^{star}-approximation (or, Bellman error minimization), combines previously disparate techniques from language modeling and theoretical reinforcement learning in a serendipitous fashion through the perspective of KL-regularized Markov decision processes. Empirically, we find that XPO is more sample-efficient than non-exploratory DPO variants in a preliminary evaluation.

The emergence of Multimodal Large Language Models (MLLMs) has propelled the development of autonomous agents that operate on Graphical User Interfaces (GUIs) using pure visual input. A fundamental challenge is robustly grounding natural language instructions. This requires a precise spatial alignment, which accurately locates the coordinates of each element, and, more critically, a correct semantic alignment, which matches the instructions to the functionally appropriate UI element. Although Reinforcement Learning with Verifiable Rewards (RLVR) has proven to be effective at improving spatial alignment for these MLLMs, we find that inefficient exploration bottlenecks semantic alignment, which prevent models from learning difficult semantic associations. To address this exploration problem, we present Adaptive Exploration Policy Optimization (AEPO), a new policy optimization framework. AEPO employs a multi-answer generation strategy to enforce broader exploration, which is then guided by a theoretically grounded Adaptive Exploration Reward (AER) function derived from first principles of efficiency eta=U/C. Our AEPO-trained models, InfiGUI-G1-3B and InfiGUI-G1-7B, establish new state-of-the-art results across multiple challenging GUI grounding benchmarks, achieving significant relative improvements of up to 9.0% against the naive RLVR baseline on benchmarks designed to test generalization and semantic understanding. Resources are available at https://github.com/InfiXAI/InfiGUI-G1.

The Key-Value (KV) cache in generative large language models (LLMs) introduces substantial memory overhead. Existing works mitigate this burden by offloading or compressing the KV cache. However, loading the entire cache incurs significant latency due to PCIe bandwidth bottlenecks in CPU-GPU communication, while aggressive compression causes notable performance degradation. We identify that certain layers in the LLM need to maintain global information and are unsuitable for selective loading. In contrast, other layers primarily focus on a few tokens with dominant activations that potentially incur substantial quantization error. This observation leads to a key insight that loading dominant tokens and quantizing all tokens can complement each other. Building on this insight, we propose a hybrid compression method, TailorKV, which seamlessly integrates quantization and offloading. TailorKV develops an inference framework along with a hardware-friendly implementation that leverages these complementary characteristics. Extensive long-context evaluations exhibit that TailorKV achieves nearly lossless performance under aggressive compression settings, outperforming the state-of-the-art. Particularly, the Llama-3.1-8B with 128k context can be served within a single RTX 3090 GPU, reaching 82 ms per token during decoding.

Applying Reinforcement Learning (RL) to Video Large Language Models (Video-LLMs) shows significant promise for complex video reasoning. However, popular Reinforcement Fine-Tuning (RFT) methods, such as outcome-based Group Relative Policy Optimization (GRPO), are limited by data preparation bottlenecks (e.g., noise or high cost) and exhibit unstable improvements in the quality of long chain-of-thoughts (CoTs) and downstream performance.To address these limitations, we propose VerIPO, a Verifier-guided Iterative Policy Optimization method designed to gradually improve video LLMs' capacity for generating deep, long-term reasoning chains. The core component is Rollout-Aware Verifier, positioned between the GRPO and Direct Preference Optimization (DPO) training phases to form the GRPO-Verifier-DPO training loop. This verifier leverages small LLMs as a judge to assess the reasoning logic of rollouts, enabling the construction of high-quality contrastive data, including reflective and contextually consistent CoTs. These curated preference samples drive the efficient DPO stage (7x faster than GRPO), leading to marked improvements in reasoning chain quality, especially in terms of length and contextual consistency. This training loop benefits from GRPO's expansive search and DPO's targeted optimization. Experimental results demonstrate: 1) Significantly faster and more effective optimization compared to standard GRPO variants, yielding superior performance; 2) Our trained models exceed the direct inference of large-scale instruction-tuned Video-LLMs, producing long and contextually consistent CoTs on diverse video reasoning tasks; and 3) Our model with one iteration outperforms powerful LMMs (e.g., Kimi-VL) and long reasoning models (e.g., Video-R1), highlighting its effectiveness and stability.

Agent-based editing models have substantially advanced interactive experiences, processing quality, and creative flexibility. However, two critical challenges persist: (1) instruction hallucination, text-only chain-of-thought (CoT) reasoning cannot fully prevent factual errors due to inherent information bottlenecks; (2) reward hacking, dynamic policy optimization against static reward models allows agents to exploit flaws in reward functions. To address these issues, we propose JarvisEvo, a unified image editing agent that emulates an expert human designer by iteratively editing, selecting appropriate tools, evaluating results, and reflecting on its own decisions to refine outcomes. JarvisEvo offers three key advantages: (1) an interleaved multimodal chain-of-thought (iMCoT) reasoning mechanism that enhances instruction following and editing quality; (2) a synergistic editor-evaluator policy optimization (SEPO) framework that enables self-improvement without external rewards, effectively mitigating reward hacking; and (3) support for both global and local fine-grained editing through seamless integration of Adobe Lightroom. On ArtEdit-Bench, JarvisEvo outperforms Nano-Banana by an average of 18.95% on preservative editing metrics, including a substantial 44.96% improvement in pixel-level content fidelity. Project page: https://jarvisevo.vercel.app/

Large Language Models (LLMs) have been increasingly used to optimize code efficiency. Evaluating their effectiveness and further suggesting optimization opportunities often rely on high-quality tests to demonstrate the performance bottlenecks presented in the program. However, existing approaches rely on a limited set of hand-curated inputs or LLM-generated uninteresting length-stressing tests, failing to reveal more nuanced optimization opportunities. We present WEDGE, a framework for generating performance-stressing input given the program under test. WEDGE synthesizes explicit performance-characterizing constraints in the form of branch conditions to partition the programs' execution space into performance-specific regions. When integrated with the coverage-guided fuzzer, reaching different regions introduces explicit rewards for test generation to explore inefficient implementations. Our evaluation shows that WEDGE introduces a significant slowdown compared to the tests in CodeContests and those claimed to be optimized by existing approaches. From the utility perspective, integrating our tests substantially improves the existing code optimization approaches that rely on test-driven execution feedback. We release PERFFORGE, the performance tests generated by WEDGE, to benchmark future approaches for efficient code generation at https://github.com/UChiSeclab/perfforge.

Planning under partial observability is an essential capability of autonomous robots. The Partially Observable Markov Decision Process (POMDP) provides a powerful framework for planning under partial observability problems, capturing the stochastic effects of actions and the limited information available through noisy observations. POMDP solving could benefit tremendously from massive parallelization of today's hardware, but parallelizing POMDP solvers has been challenging. They rely on interleaving numerical optimization over actions with the estimation of their values, which creates dependencies and synchronization bottlenecks between parallel processes that can quickly offset the benefits of parallelization. In this paper, we propose Vectorized Online POMDP Planner (VOPP), a novel parallel online solver that leverages a recent POMDP formulation that analytically solves part of the optimization component, leaving only the estimation of expectations for numerical computation. VOPP represents all data structures related to planning as a collection of tensors and implements all planning steps as fully vectorized computations over this representation. The result is a massively parallel solver with no dependencies and synchronization bottlenecks between parallel computations. Experimental results indicate that VOPP is at least 20X more efficient in computing near-optimal solutions compared to an existing state-of-the-art parallel online solver.

Standard training metrics like loss fail to explain the emergence of complex capabilities in large language models. We take a spectral approach to investigate the geometry of learned representations across pretraining and post-training, measuring effective rank (RankMe) and eigenspectrum decay (α-ReQ). With OLMo (1B-7B) and Pythia (160M-12B) models, we uncover a consistent non-monotonic sequence of three geometric phases during autoregressive pretraining. The initial "warmup" phase exhibits rapid representational collapse. This is followed by an "entropy-seeking" phase, where the manifold's dimensionality expands substantially, coinciding with peak n-gram memorization. Subsequently, a "compression-seeking" phase imposes anisotropic consolidation, selectively preserving variance along dominant eigendirections while contracting others, a transition marked with significant improvement in downstream task performance. We show these phases can emerge from a fundamental interplay of cross-entropy optimization under skewed token frequencies and representational bottlenecks (d ll |V|). Post-training further transforms geometry: SFT and DPO drive "entropy-seeking" dynamics to integrate specific instructional or preferential data, improving in-distribution performance while degrading out-of-distribution robustness. Conversely, RLVR induces "compression-seeking", enhancing reward alignment but reducing generation diversity.

The large pre-trained BERT has achieved remarkable performance on Natural Language Processing (NLP) tasks but is also computation and memory expensive. As one of the powerful compression approaches, binarization extremely reduces the computation and memory consumption by utilizing 1-bit parameters and bitwise operations. Unfortunately, the full binarization of BERT (i.e., 1-bit weight, embedding, and activation) usually suffer a significant performance drop, and there is rare study addressing this problem. In this paper, with the theoretical justification and empirical analysis, we identify that the severe performance drop can be mainly attributed to the information degradation and optimization direction mismatch respectively in the forward and backward propagation, and propose BiBERT, an accurate fully binarized BERT, to eliminate the performance bottlenecks. Specifically, BiBERT introduces an efficient Bi-Attention structure for maximizing representation information statistically and a Direction-Matching Distillation (DMD) scheme to optimize the full binarized BERT accurately. Extensive experiments show that BiBERT outperforms both the straightforward baseline and existing state-of-the-art quantized BERTs with ultra-low bit activations by convincing margins on the NLP benchmark. As the first fully binarized BERT, our method yields impressive 56.3 times and 31.2 times saving on FLOPs and model size, demonstrating the vast advantages and potential of the fully binarized BERT model in real-world resource-constrained scenarios.

The Information Bottleneck (IB) principle has emerged as a promising approach for enhancing the generalization, robustness, and interpretability of deep neural networks, demonstrating efficacy across image segmentation, document clustering, and semantic communication. Among IB implementations, the IB Lagrangian method, employing Lagrangian multipliers, is widely adopted. While numerous methods for the optimizations of IB Lagrangian based on variational bounds and neural estimators are feasible, their performance is highly dependent on the quality of their design, which is inherently prone to errors. To address this limitation, we introduce Structured IB, a framework for investigating potential structured features. By incorporating auxiliary encoders to extract missing informative features, we generate more informative representations. Our experiments demonstrate superior prediction accuracy and task-relevant information preservation compared to the original IB Lagrangian method, even with reduced network size.

In discriminative settings such as regression and classification there are two random variables at play, the inputs X and the targets Y. Here, we demonstrate that the Variational Information Bottleneck can be viewed as a compromise between fully empirical and fully Bayesian objectives, attempting to minimize the risks due to finite sampling of Y only. We argue that this approach provides some of the benefits of Bayes while requiring only some of the work.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

The advancement of machine learning for compiler optimization, particularly within the polyhedral model, is constrained by the scarcity of large-scale, public performance datasets. This data bottleneck forces researchers to undertake costly data generation campaigns, slowing down innovation and hindering reproducible research learned code optimization. To address this gap, we introduce LOOPerSet, a new public dataset containing 28 million labeled data points derived from 220,000 unique, synthetically generated polyhedral programs. Each data point maps a program and a complex sequence of semantics-preserving transformations (such as fusion, skewing, tiling, and parallelism)to a ground truth performance measurement (execution time). The scale and diversity of LOOPerSet make it a valuable resource for training and evaluating learned cost models, benchmarking new model architectures, and exploring the frontiers of automated polyhedral scheduling. The dataset is released under a permissive license to foster reproducible research and lower the barrier to entry for data-driven compiler optimization.

We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-N, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential for realizing the full potential of test-time scaling because, unlike training, where parameter scaling saturates, test-time accuracy continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.

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

Dot-product attention mechanism plays a crucial role in modern deep architectures (e.g., Transformer) for sequence modeling, however, na\"ive exact computation of this model incurs quadratic time and memory complexities in sequence length, hindering the training of long-sequence models. Critical bottlenecks are due to the computation of partition functions in the denominator of softmax function as well as the multiplication of the softmax matrix with the matrix of values. Our key observation is that the former can be reduced to a variant of the kernel density estimation (KDE) problem, and an efficient KDE solver can be further utilized to accelerate the latter via subsampling-based fast matrix products. Our proposed KDEformer can approximate the attention in sub-quadratic time with provable spectral norm bounds, while all prior results merely provide entry-wise error bounds. Empirically, we verify that KDEformer outperforms other attention approximations in terms of accuracy, memory, and runtime on various pre-trained models. On BigGAN image generation, we achieve better generative scores than the exact computation with over 4times speedup. For ImageNet classification with T2T-ViT, KDEformer shows over 18times speedup while the accuracy drop is less than 0.5%.

Mixture-of-Experts (MoE) models have gained popularity in achieving state-of-the-art performance in a wide range of tasks in computer vision and natural language processing. They effectively expand the model capacity while incurring a minimal increase in computation cost during training. However, deploying such models for inference is difficult due to their large size and complex communication pattern. In this work, we provide a characterization of two MoE workloads, namely Language Modeling (LM) and Machine Translation (MT) and identify their sources of inefficiencies at deployment. We propose three optimization techniques to mitigate sources of inefficiencies, namely (1) Dynamic gating, (2) Expert Buffering, and (3) Expert load balancing. We show that dynamic gating improves maximum throughput by 6.21-11.23times for LM, 5.75-10.98times for MT Encoder and 2.58-5.71times for MT Decoder. It also reduces memory usage by up to 1.36times for LM and up to 1.1times for MT. We further propose Expert Buffering, a new caching mechanism that only keeps hot, active experts in GPU memory while buffering the rest in CPU memory. This reduces static memory allocation by up to 1.47times. We finally propose a load balancing methodology that provides additional scalability to the workload.

The availability of unprecedented unsupervised training data, along with neural scaling laws, has resulted in an unprecedented surge in model size and compute requirements for serving/training LLMs. However, the main performance bottleneck is increasingly shifting to memory bandwidth. Over the past 20 years, peak server hardware FLOPS has been scaling at 3.0x/2yrs, outpacing the growth of DRAM and interconnect bandwidth, which have only scaled at 1.6 and 1.4 times every 2 years, respectively. This disparity has made memory, rather than compute, the primary bottleneck in AI applications, particularly in serving. Here, we analyze encoder and decoder Transformer models and show how memory bandwidth can become the dominant bottleneck for decoder models. We argue for a redesign in model architecture, training, and deployment strategies to overcome this memory limitation.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

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.

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

Numerous deep learning algorithms have been inspired by and understood via the notion of information bottleneck, where unnecessary information is (often implicitly) minimized while task-relevant information is maximized. However, a rigorous argument for justifying why it is desirable to control information bottlenecks has been elusive. In this paper, we provide the first rigorous learning theory for justifying the benefit of information bottleneck in deep learning by mathematically relating information bottleneck to generalization errors. Our theory proves that controlling information bottleneck is one way to control generalization errors in deep learning, although it is not the only or necessary way. We investigate the merit of our new mathematical findings with experiments across a range of architectures and learning settings. In many cases, generalization errors are shown to correlate with the degree of information bottleneck: i.e., the amount of the unnecessary information at hidden layers. This paper provides a theoretical foundation for current and future methods through the lens of information bottleneck. Our new generalization bounds scale with the degree of information bottleneck, unlike the previous bounds that scale with the number of parameters, VC dimension, Rademacher complexity, stability or robustness. Our code is publicly available at: https://github.com/xu-ji/information-bottleneck

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation t by striking a trade-off between a compression term I(x;t) and a prediction term I(y;t), where I(cdot;cdot) refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck.

Transformers are one of the most important machine learning workloads today. Training one is a very compute-intensive task, often taking days or weeks, and significant attention has been given to optimizing transformers. Despite this, existing implementations do not efficiently utilize GPUs. We find that data movement is the key bottleneck when training. Due to Amdahl's Law and massive improvements in compute performance, training has now become memory-bound. Further, existing frameworks use suboptimal data layouts. Using these insights, we present a recipe for globally optimizing data movement in transformers. We reduce data movement by up to 22.91% and overall achieve a 1.30x performance improvement over state-of-the-art frameworks when training a BERT encoder layer and 1.19x for the entire BERT. Our approach is applicable more broadly to optimizing deep neural networks, and offers insight into how to tackle emerging performance bottlenecks.

Batch Bayesian optimisation (BO) is a successful technique for the optimisation of expensive black-box functions. Asynchronous BO can reduce wallclock time by starting a new evaluation as soon as another finishes, thus maximising resource utilisation. To maximise resource allocation, we develop a novel asynchronous BO method, AEGiS (Asynchronous epsilon-Greedy Global Search) that combines greedy search, exploiting the surrogate's mean prediction, with Thompson sampling and random selection from the approximate Pareto set describing the trade-off between exploitation (surrogate mean prediction) and exploration (surrogate posterior variance). We demonstrate empirically the efficacy of AEGiS on synthetic benchmark problems, meta-surrogate hyperparameter tuning problems and real-world problems, showing that AEGiS generally outperforms existing methods for asynchronous BO. When a single worker is available performance is no worse than BO using expected improvement.

Many deep learning models, developed in recent years, reach higher ImageNet accuracy than ResNet50, with fewer or comparable FLOPS count. While FLOPs are often seen as a proxy for network efficiency, when measuring actual GPU training and inference throughput, vanilla ResNet50 is usually significantly faster than its recent competitors, offering better throughput-accuracy trade-off. In this work, we introduce a series of architecture modifications that aim to boost neural networks' accuracy, while retaining their GPU training and inference efficiency. We first demonstrate and discuss the bottlenecks induced by FLOPs-optimizations. We then suggest alternative designs that better utilize GPU structure and assets. Finally, we introduce a new family of GPU-dedicated models, called TResNet, which achieve better accuracy and efficiency than previous ConvNets. Using a TResNet model, with similar GPU throughput to ResNet50, we reach 80.8 top-1 accuracy on ImageNet. Our TResNet models also transfer well and achieve state-of-the-art accuracy on competitive single-label classification datasets such as Stanford cars (96.0%), CIFAR-10 (99.0%), CIFAR-100 (91.5%) and Oxford-Flowers (99.1%). They also perform well on multi-label classification and object detection tasks. Implementation is available at: https://github.com/mrT23/TResNet.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

Deep neural network (DNN) inference has become an important part of many data-center workloads. This has prompted focused efforts to design ever-faster deep learning accelerators such as GPUs and TPUs. However, an end-to-end DNN-based vision application contains more than just DNN inference, including input decompression, resizing, sampling, normalization, and data transfer. In this paper, we perform a thorough evaluation of computer vision inference requests performed on a throughput-optimized serving system. We quantify the performance impact of server overheads such as data movement, preprocessing, and message brokers between two DNNs producing outputs at different rates. Our empirical analysis encompasses many computer vision tasks including image classification, segmentation, detection, depth-estimation, and more complex processing pipelines with multiple DNNs. Our results consistently demonstrate that end-to-end application performance can easily be dominated by data processing and data movement functions (up to 56% of end-to-end latency in a medium-sized image, and sim 80% impact on system throughput in a large image), even though these functions have been conventionally overlooked in deep learning system design. Our work identifies important performance bottlenecks in different application scenarios, achieves 2.25times better throughput compared to prior work, and paves the way for more holistic deep learning system design.

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

The emergence of large-scale Mixture of Experts (MoE) models has marked a significant advancement in artificial intelligence, offering enhanced model capacity and computational efficiency through conditional computation. However, the deployment and inference of these models present substantial challenges in terms of computational resources, latency, and energy efficiency. This comprehensive survey systematically analyzes the current landscape of inference optimization techniques for MoE models across the entire system stack. We first establish a taxonomical framework that categorizes optimization approaches into model-level, system-level, and hardware-level optimizations. At the model level, we examine architectural innovations including efficient expert design, attention mechanisms, various compression techniques such as pruning, quantization, and knowledge distillation, as well as algorithm improvement including dynamic routing strategies and expert merging methods. At the system level, we investigate distributed computing approaches, load balancing mechanisms, and efficient scheduling algorithms that enable scalable deployment. Furthermore, we delve into hardware-specific optimizations and co-design strategies that maximize throughput and energy efficiency. This survey not only provides a structured overview of existing solutions but also identifies key challenges and promising research directions in MoE inference optimization. Our comprehensive analysis serves as a valuable resource for researchers and practitioners working on large-scale deployment of MoE models in resource-constrained environments. To facilitate ongoing updates and the sharing of cutting-edge advances in MoE inference optimization research, we have established a repository accessible at https://github.com/MoE-Inf/awesome-moe-inference/.

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes naturally have this property, deep neural networks often lack it. In this paper, we introduce Distance Aware Bottleneck (DAB), i.e., a new method for enriching deep neural networks with this property. Building on prior information bottleneck approaches, our method learns a codebook that stores a compressed representation of all inputs seen during training. The distance of a new example from this codebook can serve as an uncertainty estimate for the example. The resulting model is simple to train and provides deterministic uncertainty estimates by a single forward pass. Finally, our method achieves better out-of-distribution (OOD) detection and misclassification prediction than prior methods, including expensive ensemble methods, deep kernel Gaussian Processes, and approaches based on the standard information bottleneck.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Code optimization is a daunting task that requires a significant level of expertise from experienced programmers. This level of expertise is not sufficient when compared to the rapid development of new hardware architectures. Towards advancing the whole code optimization process, recent approaches rely on machine learning and artificial intelligence techniques. This paper introduces a new framework to decrease the complexity of code optimization. The proposed framework builds on large language models (LLMs) and reinforcement learning (RL) and enables LLMs to receive feedback from their environment (i.e., unit tests) during the fine-tuning process. We compare our framework with existing state-of-the-art models and show that it is more efficient with respect to speed and computational usage, as a result of the decrement in training steps and its applicability to models with fewer parameters. Additionally, our framework reduces the possibility of logical and syntactical errors. Toward evaluating our approach, we run several experiments on the PIE dataset using a CodeT5 language model and RRHF, a new reinforcement learning algorithm. We adopt a variety of evaluation metrics with regards to optimization quality, and speedup. The evaluation results demonstrate that the proposed framework has similar results in comparison with existing models using shorter training times and smaller pre-trained models. In particular, we accomplish an increase of 5.6% and 2.2 over the baseline models concerning the %OP T and SP metrics.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

Concept Bottleneck Models (CBM) are inherently interpretable models that factor model decisions into human-readable concepts. They allow people to easily understand why a model is failing, a critical feature for high-stakes applications. CBMs require manually specified concepts and often under-perform their black box counterparts, preventing their broad adoption. We address these shortcomings and are first to show how to construct high-performance CBMs without manual specification of similar accuracy to black box models. Our approach, Language Guided Bottlenecks (LaBo), leverages a language model, GPT-3, to define a large space of possible bottlenecks. Given a problem domain, LaBo uses GPT-3 to produce factual sentences about categories to form candidate concepts. LaBo efficiently searches possible bottlenecks through a novel submodular utility that promotes the selection of discriminative and diverse information. Ultimately, GPT-3's sentential concepts can be aligned to images using CLIP, to form a bottleneck layer. Experiments demonstrate that LaBo is a highly effective prior for concepts important to visual recognition. In the evaluation with 11 diverse datasets, LaBo bottlenecks excel at few-shot classification: they are 11.7% more accurate than black box linear probes at 1 shot and comparable with more data. Overall, LaBo demonstrates that inherently interpretable models can be widely applied at similar, or better, performance than black box approaches.

As machine learning (ML) is increasingly implemented in hardware to address real-time challenges in scientific applications, the development of advanced toolchains has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as hardware synthesis, are becoming limiting factors in the rapid iteration of designs. To mitigate these emerging constraints, multiple efforts have been undertaken to develop an ML-based surrogate model that estimates resource usage of ML accelerator architectures. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of over 680,000 fully connected and convolutional neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, and the average performance across a subset of the dataset. Additionally, we introduce GNN- and transformer-based surrogate models that predict latency and resources for ML accelerators. We present the architecture and performance of the models and find that the models generally predict latency and resources for the 75% percentile within several percent of the synthesized resources on the synthetic test dataset.

The sparse Mixture-of-Experts (MoE) architecture is increasingly favored for scaling Large Language Models (LLMs) efficiently, but it depends on heterogeneous compute and memory resources. These factors jointly affect system Cost, Accuracy, and Performance (CAP), making trade-offs inevitable. Existing benchmarks often fail to capture these trade-offs accurately, complicating practical deployment decisions. To address this, we introduce MoE-CAP, a benchmark specifically designed for MoE systems. Our analysis reveals that achieving an optimal balance across CAP is difficult with current hardware; MoE systems typically optimize two of the three dimensions at the expense of the third-a dynamic we term the MoE-CAP trade-off. To visualize this, we propose the CAP Radar Diagram. We further introduce sparsity-aware performance metrics-Sparse Memory Bandwidth Utilization (S-MBU) and Sparse Model FLOPS Utilization (S-MFU)-to enable accurate performance benchmarking of MoE systems across diverse hardware platforms and deployment scenarios.

Augmenting a language model (LM) with k-nearest neighbors (kNN) retrieval on its training data alone can decrease its perplexity, though the underlying reasons for this remains elusive. In this work, we first rule out one previously posited possibility -- the "softmax bottleneck." We further identify the MLP hurdle phenomenon, where the final MLP layer in LMs may impede LM optimization early on. We explore memorization and generalization in language models with two new datasets, where advanced model like GPT-3.5-turbo find generalizing to irrelevant information in the training data challenging. However, incorporating kNN retrieval to vanilla GPT-2 117M can consistently improve performance in this setting.

Retrieval-augmented generation integrates the capabilities of large language models with relevant information retrieved from an extensive corpus, yet encounters challenges when confronted with real-world noisy data. One recent solution is to train a filter module to find relevant content but only achieve suboptimal noise compression. In this paper, we propose to introduce the information bottleneck theory into retrieval-augmented generation. Our approach involves the filtration of noise by simultaneously maximizing the mutual information between compression and ground output, while minimizing the mutual information between compression and retrieved passage. In addition, we derive the formula of information bottleneck to facilitate its application in novel comprehensive evaluations, the selection of supervised fine-tuning data, and the construction of reinforcement learning rewards. Experimental results demonstrate that our approach achieves significant improvements across various question answering datasets, not only in terms of the correctness of answer generation but also in the conciseness with 2.5% compression rate.

We propose a novel architecture and method of explainable classification with Concept Bottleneck Models (CBMs). While SOTA approaches to Image Classification task work as a black box, there is a growing demand for models that would provide interpreted results. Such a models often learn to predict the distribution over class labels using additional description of this target instances, called concepts. However, existing Bottleneck methods have a number of limitations: their accuracy is lower than that of a standard model and CBMs require an additional set of concepts to leverage. We provide a framework for creating Concept Bottleneck Model from pre-trained multi-modal encoder and new CLIP-like architectures. By introducing a new type of layers known as Concept Bottleneck Layers, we outline three methods for training them: with ell_1-loss, contrastive loss and loss function based on Gumbel-Softmax distribution (Sparse-CBM), while final FC layer is still trained with Cross-Entropy. We show a significant increase in accuracy using sparse hidden layers in CLIP-based bottleneck models. Which means that sparse representation of concepts activation vector is meaningful in Concept Bottleneck Models. Moreover, with our Concept Matrix Search algorithm we can improve CLIP predictions on complex datasets without any additional training or fine-tuning. The code is available at: https://github.com/Andron00e/SparseCBM.

We introduce GraphNet, a dataset of 2.7K real-world deep learning computational graphs with rich metadata, spanning six major task categories across multiple deep learning frameworks. To evaluate tensor compiler performance on these samples, we propose the benchmark metric Speedup Score S(t), which jointly considers runtime speedup and execution correctness under tunable tolerance levels, offering a reliable measure of general optimization capability. Furthermore, we extend S(t) to the Error-aware Speedup Score ES(t), which incorporates error information and helps compiler developers identify key performance bottlenecks. In this report, we benchmark the default tensor compilers, CINN for PaddlePaddle and TorchInductor for PyTorch, on computer vision (CV) and natural language processing (NLP) samples to demonstrate the practicality of GraphNet. The full construction pipeline with graph extraction and compiler evaluation tools is available at https://github.com/PaddlePaddle/GraphNet .

A variety of Auto-Regressive Video Diffusion Models (ARVDM) have achieved remarkable successes in generating realistic long-form videos. However, theoretical analyses of these models remain scant. In this work, we develop theoretical underpinnings for these models and use our insights to improve the performance of existing models. We first develop Meta-ARVDM, a unified framework of ARVDMs that subsumes most existing methods. Using Meta-ARVDM, we analyze the KL-divergence between the videos generated by Meta-ARVDM and the true videos. Our analysis uncovers two important phenomena inherent to ARVDM -- error accumulation and memory bottleneck. By deriving an information-theoretic impossibility result, we show that the memory bottleneck phenomenon cannot be avoided. To mitigate the memory bottleneck, we design various network structures to explicitly use more past frames. We also achieve a significantly improved trade-off between the mitigation of the memory bottleneck and the inference efficiency by compressing the frames. Experimental results on DMLab and Minecraft validate the efficacy of our methods. Our experiments also demonstrate a Pareto-frontier between the error accumulation and memory bottleneck across different methods.

The backpropagation algorithm has long been the canonical training method for neural networks. Modern paradigms are implicitly optimized for it, and numerous guidelines exist to ensure its proper use. Recently, synthetic gradients methods -where the error gradient is only roughly approximated - have garnered interest. These methods not only better portray how biological brains are learning, but also open new computational possibilities, such as updating layers asynchronously. Even so, they have failed to scale past simple tasks like MNIST or CIFAR-10. This is in part due to a lack of standards, leading to ill-suited models and practices forbidding such methods from performing to the best of their abilities. In this work, we focus on direct feedback alignment and present a set of best practices justified by observations of the alignment angles. We characterize a bottleneck effect that prevents alignment in narrow layers, and hypothesize it may explain why feedback alignment methods have yet to scale to large convolutional networks.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Although mission-critical applications require the use of deep neural networks (DNNs), their continuous execution at mobile devices results in a significant increase in energy consumption. While edge offloading can decrease energy consumption, erratic patterns in channel quality, network and edge server load can lead to severe disruption of the system's key operations. An alternative approach, called split computing, generates compressed representations within the model (called "bottlenecks"), to reduce bandwidth usage and energy consumption. Prior work has proposed approaches that introduce additional layers, to the detriment of energy consumption and latency. For this reason, we propose a new framework called BottleFit, which, in addition to targeted DNN architecture modifications, includes a novel training strategy to achieve high accuracy even with strong compression rates. We apply BottleFit on cutting-edge DNN models in image classification, and show that BottleFit achieves 77.1% data compression with up to 0.6% accuracy loss on ImageNet dataset, while state of the art such as SPINN loses up to 6% in accuracy. We experimentally measure the power consumption and latency of an image classification application running on an NVIDIA Jetson Nano board (GPU-based) and a Raspberry PI board (GPU-less). We show that BottleFit decreases power consumption and latency respectively by up to 49% and 89% with respect to (w.r.t.) local computing and by 37% and 55% w.r.t. edge offloading. We also compare BottleFit with state-of-the-art autoencoders-based approaches, and show that (i) BottleFit reduces power consumption and execution time respectively by up to 54% and 44% on the Jetson and 40% and 62% on Raspberry PI; (ii) the size of the head model executed on the mobile device is 83 times smaller. We publish the code repository for reproducibility of the results in this study.

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

Recent advances in visual generation have made significant strides in producing content of exceptional quality. However, most methods suffer from a fundamental problem - a bottleneck of inference computational efficiency. Most of these algorithms involve multiple passes over a transformer model to generate tokens or denoise inputs. However, the model size is kept consistent throughout all iterations, which makes it computationally expensive. In this work, we aim to address this issue primarily through two key ideas - (a) not all parts of the generation process need equal compute, and we design a decode time model scaling schedule to utilize compute effectively, and (b) we can cache and reuse some of the computation. Combining these two ideas leads to using smaller models to process more tokens while large models process fewer tokens. These different-sized models do not increase the parameter size, as they share parameters. We rigorously experiment with ImageNet256times256 , UCF101, and Kinetics600 to showcase the efficacy of the proposed method for image/video generation and frame prediction. Our experiments show that with almost 3times less compute than baseline, our model obtains competitive performance.

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

The Neural Architecture Search (NAS) problem is typically formulated as a graph search problem where the goal is to learn the optimal operations over edges in order to maximise a graph-level global objective. Due to the large architecture parameter space, efficiency is a key bottleneck preventing NAS from its practical use. In this paper, we address the issue by framing NAS as a multi-agent problem where agents control a subset of the network and coordinate to reach optimal architectures. We provide two distinct lightweight implementations, with reduced memory requirements (1/8th of state-of-the-art), and performances above those of much more computationally expensive methods. Theoretically, we demonstrate vanishing regrets of the form O(sqrt(T)), with T being the total number of rounds. Finally, aware that random search is an, often ignored, effective baseline we perform additional experiments on 3 alternative datasets and 2 network configurations, and achieve favourable results in comparison.

We propose JFR, a Bellman-Ford-based optimization framework leveraging frontier contraction and abstract multi-hop jump propagation to accelerate shortest-path computation while strictly preserving correctness. JFR achieves substantial reductions in relaxation operations, ranging from 25 to 99 percent, across sparse, dense, and negative-edge graphs, ensuring robust performance even under adversarial or highly connected topologies. On ultra-large graphs with up to N=20,000 nodes and 295 million edges, JFR maintains strong operational reductions and comparable or improved runtime relative to SPFA-SLF, demonstrating consistent robustness across graph size and density. Lower relaxation counts imply reduced memory-access overheads and computational effort; this normalized work reduction highlights JFR's suitability for scenarios requiring high throughput or energy-conscious operation. Future work focuses on integrating high-performance queue structures, adaptive frontier strategies, and cache-aware techniques to further reduce constant-factor overheads and fully realize JFR's practical runtime potential.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems-a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agent frameworks against established human-designed algorithms, revealing key strengths and limitations of current approaches and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

The R-Learner is a powerful, theoretically-grounded framework for estimating heterogeneous treatment effects, prized for its robustness to nuisance model errors. However, its application to network data, where causal heterogeneity is often graph-dependent, presents a critical challenge to its core assumption of a well-specified final-stage model. In this paper, we conduct a large-scale empirical study to systematically dissect the R-Learner framework on graphs. We provide the first rigorous evidence that the primary driver of performance is the inductive bias of the final-stage CATE estimator, an effect that dominates the choice of nuisance models. Our central finding is the quantification of a catastrophic "representation bottleneck": we prove with overwhelming statistical significance (p < 0.001) that R-Learners with a graph-blind final stage fail completely (MSE > 4.0), even when paired with powerful GNN nuisance models. Conversely, our proposed end-to-end Graph R-Learner succeeds and significantly outperforms a strong, non-DML GNN T-Learner baseline. Furthermore, we identify and provide a mechanistic explanation for a subtle, topology-dependent "nuisance bottleneck," linking it to GNN over-squashing via a targeted "Hub-Periphery Trade-off" analysis. Our findings are validated across diverse synthetic and semi-synthetic benchmarks. We release our code as a reproducible benchmark to facilitate future research on this critical "final-stage bottleneck."

Effective scheduling under tight resource, timing, and operational constraints underpins large-scale planning across sectors such as capital projects, manufacturing, logistics, and IT fleet transitions. However, the reliability of large language models (LLMs) when reasoning under high-constraint regimes is insufficiently characterized. To address this gap, we present R-ConstraintBench, a scalable framework that evaluates models on Resource-Constrained Project Scheduling Problems (RCPSP), an NP-Complete feasibility class, while difficulty increases via linear growth in constraints. R-ConstraintBench incrementally increases non-redundant precedence constraints in Directed Acyclic Graphs (DAGs) and then introduces downtime, temporal windows, and disjunctive constraints. As an illustrative example, we instantiate the benchmark in a data center migration setting and evaluate multiple LLMs using feasibility and error analysis, identifying degradation thresholds and constraint types most associated with failure. Empirically, strong models are near-ceiling on precedence-only DAGs, but feasibility performance collapses when downtime, temporal windows, and disjunctive constraints interact, implicating constraint interaction, not graph depth, as the principal bottleneck. Performance on clean synthetic ramps also does not guarantee transfer to domain-grounded scenarios, underscoring limited generalization.

We study the use of amortized optimization to predict optimal transport (OT) maps from the input measures, which we call Meta OT. This helps repeatedly solve similar OT problems between different measures by leveraging the knowledge and information present from past problems to rapidly predict and solve new problems. Otherwise, standard methods ignore the knowledge of the past solutions and suboptimally re-solve each problem from scratch. We instantiate Meta OT models in discrete and continuous settings between grayscale images, spherical data, classification labels, and color palettes and use them to improve the computational time of standard OT solvers. Our source code is available at http://github.com/facebookresearch/meta-ot

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.

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

Optimizer states are a major source of memory consumption for training neural networks, limiting the maximum trainable model within given memory budget. Compressing the optimizer states from 32-bit floating points to lower bitwidth is promising to reduce the training memory footprint, while the current lowest achievable bitwidth is 8-bit. In this work, we push optimizer states bitwidth down to 4-bit through a detailed empirical analysis of first and second moments. Specifically, we find that moments have complicated outlier patterns, that current block-wise quantization cannot accurately approximate. We use a smaller block size and propose to utilize both row-wise and column-wise information for better quantization. We further identify a zero point problem of quantizing the second moment, and solve this problem with a linear quantizer that excludes the zero point. Our 4-bit optimizers are evaluated on a wide variety of benchmarks including natural language understanding, machine translation, image classification, and instruction tuning. On all the tasks our optimizers can achieve comparable accuracy with their full-precision counterparts, while enjoying better memory efficiency.

Chart understanding requires models to effectively analyze and reason about numerical data, textual elements, and complex visual components. Our observations reveal that the perception capabilities of existing large vision-language models (LVLMs) constitute a critical bottleneck in this process. In this study, we delve into this perception bottleneck by decomposing it into two components: the vision encoder bottleneck, where the visual representation may fail to encapsulate the correct information, and the extraction bottleneck, where the language model struggles to extract the necessary information from the provided visual representations. Through comprehensive experiments, we find that (1) the information embedded within visual representations is substantially richer than what is typically captured by linear extractors, such as the widely used retrieval accuracy metric; (2) While instruction tuning effectively enhances the extraction capability of LVLMs, the vision encoder remains a critical bottleneck, demanding focused attention and improvement. Therefore, we further enhance the visual encoder to mitigate the vision encoder bottleneck under a contrastive learning framework. Empirical results demonstrate that our approach significantly mitigates the perception bottleneck and improves the ability of LVLMs to comprehend charts. Code is publicly available at https://github.com/hkust-nlp/Vision4Chart.

Large language models have been widely adopted across different tasks, but their auto-regressive generation nature often leads to inefficient resource utilization during inference. While batching is commonly used to increase throughput, performance gains plateau beyond a certain batch size, especially with smaller models, a phenomenon that existing literature typically explains as a shift to the compute-bound regime. In this paper, through an in-depth GPU-level analysis, we reveal that large-batch inference remains memory-bound, with most GPU compute capabilities underutilized due to DRAM bandwidth saturation as the primary bottleneck. To address this, we propose a Batching Configuration Advisor (BCA) that optimizes memory allocation, reducing GPU memory requirements with minimal impact on throughput. The freed memory and underutilized GPU compute capabilities can then be leveraged by concurrent workloads. Specifically, we use model replication to improve serving throughput and GPU utilization. Our findings challenge conventional assumptions about LLM inference, offering new insights and practical strategies for improving resource utilization, particularly for smaller language models.

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.

Solving Mixed-Integer Programming (MIP) problems often requires substantial computational resources due to their combinatorial nature. Parallelization has emerged as a critical strategy to accelerate solution times and enhance scalability to tackle large, complex instances. This paper investigates the parallelization capabilities of Balans, a recently proposed multi-armed bandits-based adaptive large neighborhood search for MIPs. While Balans's modular architecture inherently supports parallel exploration of diverse parameter configurations, this potential has not been thoroughly examined. To address this gap, we introduce ParBalans, an extension that leverages both solver-level and algorithmic-level parallelism to improve performance on challenging MIP instances. Our experimental results demonstrate that ParBalans exhibits competitive performance compared to the state-of-the-art commercial solver Gurobi, particularly on hard optimization benchmarks.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

We propose a fast and simple explainable AI (XAI) method for point cloud data. It computes pointwise importance with respect to a trained network downstream task. This allows better understanding of the network properties, which is imperative for safety-critical applications. In addition to debugging and visualization, our low computational complexity facilitates online feedback to the network at inference. This can be used to reduce uncertainty and to increase robustness. In this work, we introduce Feature Based Interpretability (FBI), where we compute the features' norm, per point, before the bottleneck. We analyze the use of gradients and post- and pre-bottleneck strategies, showing pre-bottleneck is preferred, in terms of smoothness and ranking. We obtain at least three orders of magnitude speedup, compared to current XAI methods, thus, scalable for big point clouds or large-scale architectures. Our approach achieves SOTA results, in terms of classification explainability. We demonstrate how the proposed measure is helpful in analyzing and characterizing various aspects of 3D learning, such as rotation invariance, robustness to out-of-distribution (OOD) outliers or domain shift and dataset bias.

Diffusion models have demonstrated remarkable capabilities in visual content generation but remain challenging to deploy due to their high computational cost during inference. This computational burden primarily arises from the quadratic complexity of self-attention with respect to image or video resolution. While existing acceleration methods often compromise output quality or necessitate costly retraining, we observe that most diffusion models are pre-trained at lower resolutions, presenting an opportunity to exploit these low-resolution priors for more efficient inference without degrading performance. In this work, we introduce Bottleneck Sampling, a training-free framework that leverages low-resolution priors to reduce computational overhead while preserving output fidelity. Bottleneck Sampling follows a high-low-high denoising workflow: it performs high-resolution denoising in the initial and final stages while operating at lower resolutions in intermediate steps. To mitigate aliasing and blurring artifacts, we further refine the resolution transition points and adaptively shift the denoising timesteps at each stage. We evaluate Bottleneck Sampling on both image and video generation tasks, where extensive experiments demonstrate that it accelerates inference by up to 3times for image generation and 2.5times for video generation, all while maintaining output quality comparable to the standard full-resolution sampling process across multiple evaluation metrics. Code is available at: https://github.com/tyfeld/Bottleneck-Sampling

Mixture of Experts (MoE) LLMs, characterized by their sparse activation patterns, offer a promising approach to scaling language models while avoiding proportionally increasing the inference cost. However, their large parameter sizes present deployment challenges in resource-constrained environments with limited GPU memory capacity, as GPU memory is often insufficient to accommodate the full set of model weights. Consequently, typical deployments rely on CPU-GPU hybrid execution: the GPU handles compute-intensive GEMM operations, while the CPU processes the relatively lightweight attention mechanism. This setup introduces a key challenge: how to effectively optimize resource utilization across CPU and GPU? Prior work has designed system optimizations based on performance models with limited scope. Specifically, such models do not capture the complex interactions between hardware properties and system execution mechanisms. Therefore, previous approaches neither identify nor achieve the hardware limit. This paper presents MoE-Lens, a high-throughput MoE LLM inference system designed through holistic performance modeling for resource-constrained environments. Our performance model thoroughly analyzes various fundamental system components, including CPU memory capacity, GPU compute power, and workload characteristics, to understand the theoretical performance upper bound of MoE inference. Furthermore, it captures the system execution mechanisms to identify the key hardware bottlenecks and accurately predict the achievable throughput. Informed by our performance model, MoE-Lens introduces an inference system approaching hardware limits. Evaluated on diverse MoE models and datasets, MoE-Lens outperforms the state-of-the-art solution by 4.6x on average (up to 25.5x), with our theoretical model predicting performance with an average 94% accuracy.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

The Kolmogorov-Arnold Network (KAN) has been gaining popularity as an alternative to the multi-layer perceptron (MLP) with its increased expressiveness and interpretability. However, the KAN can be orders of magnitude slower due to its increased computational cost and training instability, limiting its applicability to larger-scale tasks. Recently, the Kolmogorov-Arnold Transformer (KAT) has been proposed, which can achieve FLOPs similar to the traditional Transformer with MLPs by leveraging Group-Rational KAN (GR-KAN). Unfortunately, despite the comparable FLOPs, our characterizations reveal that the KAT is still 123x slower in training speeds, indicating that there are other performance bottlenecks beyond FLOPs. In this paper, we conduct a series of experiments to understand the root cause of the slowdown in KAT. We uncover that the slowdown can be isolated to memory stalls and, more specifically, in the backward pass of GR-KAN caused by inefficient gradient accumulation. To address this memory bottleneck, we propose FlashKAT, which builds on our restructured kernel that minimizes gradient accumulation with atomic adds and accesses to slow memory. Evaluations demonstrate that FlashKAT can achieve a training speedup of 86.5x compared with the state-of-the-art KAT, while reducing rounding errors in the coefficient gradients. Our code is available at https://github.com/OSU-STARLAB/FlashKAT.

While polyhedral compilers have shown success in implementing advanced code transformations, they still face challenges in selecting the ones that lead to the most profitable speedups. This has motivated the use of machine learning based cost models to guide the search for polyhedral optimizations. State-of-the-art polyhedral compilers have demonstrated a viable proof-of-concept of such an approach. While promising, this approach still faces significant limitations. State-of-the-art polyhedral compilers that use a deep learning cost model only support a small subset of affine transformations, limiting their ability to explore complex code transformations. Furthermore, their applicability does not scale beyond simple programs, thus excluding many program classes from their scope, such as those with non-rectangular iteration domains or multiple loop nests. These limitations significantly impact the generality of such compilers and autoschedulers and put into question the whole approach. In this paper, we introduce LOOPer, the first polyhedral autoscheduler that uses a deep learning based cost model and covers a large space of affine transformations and programs. LOOPer allows the optimization of an extensive set of programs while being effective at applying complex sequences of polyhedral transformations. We implement and evaluate LOOPer and show that it achieves competitive speedups over the state-of-the-art. On the PolyBench benchmarks, LOOPer achieves a geometric mean speedup of 1.84x over Tiramisu and 1.42x over Pluto, two state-of-the-art polyhedral autoschedulers.

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 focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

Recent research has leveraged large language model multi-agent systems for complex problem-solving while trying to reduce the manual effort required to build them, driving the development of automated agent workflow optimization methods. However, existing methods remain inflexible due to representational limitations, a lack of adaptability, and poor scalability when relying on discrete optimization techniques. We address these challenges with ScoreFlow, a simple yet high-performance framework that leverages efficient gradient-based optimization in a continuous space. ScoreFlow incorporates Score-DPO, a novel variant of the direct preference optimization method that accounts for quantitative feedback. Across six benchmarks spanning question answering, coding, and mathematical reasoning, ScoreFlow achieves an 8.2% improvement over existing baselines. Moreover, it empowers smaller models to outperform larger ones with lower inference costs. Project: https://github.com/Gen-Verse/ScoreFlow

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration complexity, and propose a generic approach that, based on optimal first-order methods, allows to obtain in a black-box fashion new zeroth-order algorithms for non-smooth convex optimization problems. Our approach not only leads to optimal oracle complexity, but also allows to obtain iteration complexity similar to first-order methods, which, in turn, allows to exploit parallel computations to accelerate the convergence of our algorithms. We also elaborate on extensions for stochastic optimization problems, saddle-point problems, and distributed optimization.

Optimization Modeling (OM) is essential for solving complex decision-making problems. However, the process remains time-consuming and error-prone, heavily relying on domain experts. While Large Language Models (LLMs) show promise in addressing these challenges through their natural language understanding and reasoning capabilities, current approaches face three critical limitations: high benchmark labeling error rates reaching up to 42%, narrow evaluation scope that only considers optimal values, and computational inefficiency due to heavy reliance on multi-agent systems or model fine-tuning. In this work, we first enhance existing datasets through systematic error correction and more comprehensive annotation. Additionally, we introduce LogiOR, a new optimization modeling benchmark from the logistics domain, containing more complex problems with standardized annotations. Furthermore, we present ORThought, a novel framework that leverages expert-level optimization modeling principles through chain-of-thought reasoning to automate the OM process. Through extensive empirical evaluation, we demonstrate that ORThought outperforms existing approaches, including multi-agent frameworks, with particularly significant advantages on complex optimization problems. Finally, we provide a systematic analysis of our method, identifying critical success factors and failure modes, providing valuable insights for future research on LLM-based optimization modeling.

Monolithic serving with chunked prefill improves GPU utilization by batching prefill and decode together, but suffers from fine-grained phase interference. Engine-level prefill-decode (PD) disaggregation avoids interference but incurs higher hardware and coordination overhead. Prior intra-GPU disaggregation approaches multiplex prefill and decode within a single GPU, using SLO-based tuning guided by heuristics from offline profiling or reactive feedback loops. However, these methods respond reactively to performance issues rather than anticipating them, limiting adaptability under dynamic workloads. We ask: can we achieve proactive intra-GPU disaggregation that adapts effectively to dynamic workloads? The key challenge lies in managing the conflicting resource demands of prefill and decode under varying conditions. We first show that GPU resources exhibit diminishing returns -- beyond a saturation point, more allocation yields minimal latency benefit. Second, we observe that memory bandwidth contention becomes a critical bottleneck. These insights motivate a design that dynamically partitions GPU resources across prefill and decode phases, while jointly considering compute capacity, memory footprint, and bandwidth contention. Evaluated on diverse LLMs and workloads, our system Nexus achieves up to 2.2x higher throughput, 20x lower TTFT, and 2.5x lower TBT than vLLM; outperforms SGLang by up to 2x; and matches or exceeds disaggregated vLLM.

Optimization underpins decision-making in domains from healthcare to logistics, yet for many practitioners it remains a "magical box": powerful but opaque, difficult to use, and reliant on specialized expertise. While prior work has extensively studied machine learning workflows, the everyday practices of optimization model developers (OMDs) have received little attention. We conducted semi-structured interviews with 15 OMDs across diverse domains to examine how optimization is done in practice. Our findings reveal a highly iterative workflow spanning six stages: problem elicitation, data processing, model development, implementation, validation, and deployment. Importantly, we find that optimization practice is not only about algorithms that deliver better decisions, but is equally shaped by data and dialogue - the ongoing communication with stakeholders that enables problem framing, trust, and adoption. We discuss opportunities for future tooling that foregrounds data and dialogue alongside decision-making, opening new directions for human-centered optimization.

Variance reduction (VR) techniques have contributed significantly to accelerating learning with massive datasets in the smooth and strongly convex setting (Schmidt et al., 2017; Johnson & Zhang, 2013; Roux et al., 2012). However, such techniques have not yet met the same success in the realm of large-scale deep learning due to various factors such as the use of data augmentation or regularization methods like dropout (Defazio & Bottou, 2019). This challenge has recently motivated the design of novel variance reduction techniques tailored explicitly for deep learning (Arnold et al., 2019; Ma & Yarats, 2018). This work is an additional step in this direction. In particular, we exploit the ubiquitous clustering structure of rich datasets used in deep learning to design a family of scalable variance reduced optimization procedures by combining existing optimizers (e.g., SGD+Momentum, Quasi Hyperbolic Momentum, Implicit Gradient Transport) with a multi-momentum strategy (Yuan et al., 2019). Our proposal leads to faster convergence than vanilla methods on standard benchmark datasets (e.g., CIFAR and ImageNet). It is robust to label noise and amenable to distributed optimization. We provide a parallel implementation in JAX.

Test-time compute scaling has emerged as a powerful paradigm for enhancing mathematical reasoning in large language models (LLMs) by allocating additional computational resources during inference. However, current methods employ uniform resource distribution across all reasoning sub-problems, creating fundamental bottlenecks where challenging sub-problems receive insufficient attention while routine operations consume disproportionate resources. This uniform allocation creates performance bottlenecks where additional computational resources yield diminishing returns. Inspired by dual-process theory, we propose SCALE (Selective Resource Allocation), a framework that selectively allocates computational resources based on sub-problem difficulty. SCALE operates through four stages: (1) problem decomposition into sequential reasoning sub-problems, (2) difficulty assessment of each sub-problem to distinguish between routine operations and computationally challenging sub-problems, (3) selective processing mode assignment between System 1 for simple sub-problems and System 2 for complex ones, and (4) sequential execution with context propagation. By concentrating resources on challenging sub-problems while processing routine operations efficiently, SCALE achieves substantial performance improvements with superior resource utilization. Extensive experiments demonstrate that SCALE significantly outperforms uniform scaling baselines, achieving accuracy improvements of up to 13.75 percentage points (57.50% to 71.25% on AIME25) while reducing computational costs by 33%-53%, representing a major advance in test-time scaling that addresses fundamental limitations of current approaches.

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

In distributed computing, slower nodes (stragglers) usually become a bottleneck. Gradient Coding (GC), introduced by Tandon et al., is an efficient technique that uses principles of error-correcting codes to distribute gradient computation in the presence of stragglers. In this paper, we consider the distributed computation of a sequence of gradients {g(1),g(2),ldots,g(J)}, where processing of each gradient g(t) starts in round-t and finishes by round-(t+T). Here Tgeq 0 denotes a delay parameter. For the GC scheme, coding is only across computing nodes and this results in a solution where T=0. On the other hand, having T>0 allows for designing schemes which exploit the temporal dimension as well. In this work, we propose two schemes that demonstrate improved performance compared to GC. Our first scheme combines GC with selective repetition of previously unfinished tasks and achieves improved straggler mitigation. In our second scheme, which constitutes our main contribution, we apply GC to a subset of the tasks and repetition for the remainder of the tasks. We then multiplex these two classes of tasks across workers and rounds in an adaptive manner, based on past straggler patterns. Using theoretical analysis, we demonstrate that our second scheme achieves significant reduction in the computational load. In our experiments, we study a practical setting of concurrently training multiple neural networks over an AWS Lambda cluster involving 256 worker nodes, where our framework naturally applies. We demonstrate that the latter scheme can yield a 16\% improvement in runtime over the baseline GC scheme, in the presence of naturally occurring, non-simulated stragglers.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Distributed optimization methods such as DiLoCo have been shown to be effective in training very large models across multiple distributed workers, such as datacenters. These methods split updates into two parts: an inner optimization phase, where the workers independently execute multiple optimization steps on their own local data, and an outer optimization step, where the inner updates are synchronized. While such approaches require orders of magnitude less communication than standard data-parallel training, in settings where the workers are datacenters, even the limited communication requirements of these approaches can still cause significant slow downs due to the blocking necessary at each outer optimization step. In this paper, we investigate techniques to mitigate this issue by overlapping communication with computation in a manner that allows the outer optimization step to fully overlap with the inner optimization phase. We show that a particular variant, dubbed eager updates, provides competitive performance with standard DiLoCo in settings with low bandwidth between workers.

Optimizing scientific software is a difficult task because codebases are often large and complex, and performance can depend upon several factors including the algorithm, its implementation, and hardware among others. Causes of poor performance can originate from disparate sources and be difficult to diagnose. Recent years have seen a multitude of work that use large language models (LLMs) to assist in software development tasks. However, these tools are trained to model the distribution of code as text, and are not specifically designed to understand performance aspects of code. In this work, we introduce a reinforcement learning based methodology to align the outputs of code LLMs with performance. This allows us to build upon the current code modeling capabilities of LLMs and extend them to generate better performing code. We demonstrate that our fine-tuned model improves the expected speedup of generated code over base models for a set of benchmark tasks from 0.9 to 1.6 for serial code and 1.9 to 4.5 for OpenMP code.

Finding the optimal Retrieval-Augmented Generation (RAG) configuration for a given use case can be complex and expensive. Motivated by this challenge, frameworks for RAG hyper-parameter optimization (HPO) have recently emerged, yet their effectiveness has not been rigorously benchmarked. To address this gap, we present a comprehensive study involving 5 HPO algorithms over 5 datasets from diverse domains, including a new one collected for this work on real-world product documentation. Our study explores the largest HPO search space considered to date, with two optimized evaluation metrics. Analysis of the results shows that RAG HPO can be done efficiently, either greedily or with iterative random search, and that it significantly boosts RAG performance for all datasets. For greedy HPO approaches, we show that optimizing models first is preferable to the prevalent practice of optimizing sequentially according to the RAG pipeline order.

While deep learning models have replaced hand-designed features across many domains, these models are still trained with hand-designed optimizers. In this work, we leverage the same scaling approach behind the success of deep learning to learn versatile optimizers. We train an optimizer for deep learning which is itself a small neural network that ingests gradients and outputs parameter updates. Meta-trained with approximately four thousand TPU-months of compute on a wide variety of optimization tasks, our optimizer not only exhibits compelling performance, but optimizes in interesting and unexpected ways. It requires no hyperparameter tuning, instead automatically adapting to the specifics of the problem being optimized. We open source our learned optimizer, meta-training code, the associated train and test data, and an extensive optimizer benchmark suite with baselines at velo-code.github.io.

Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.

The integration of large language models (LLMs) with vision-language (VL) tasks has been a transformative development in the realm of artificial intelligence, highlighting the potential of LLMs as a versatile general-purpose chatbot. However, the current trend in this evolution focuses on the integration of vision and language to create models that can operate in more diverse and real-world contexts. We present a novel approach, termed Bottleneck Adapter, specifically crafted for enhancing the multimodal functionalities of these complex models, enabling joint optimization of the entire multimodal LLM framework through a process known as Multimodal Model Tuning (MMT). Our approach utilizes lightweight adapters to connect the image encoder and LLM without the need for large, complex neural networks. Unlike the conventional modular training schemes, our approach adopts an end-to-end optimization regime, which, when combined with the adapters, facilitates the joint optimization using a significantly smaller parameter set. Our method exhibits robust performance with 90.12\% accuracy, outperforming both human-level performance (88.4\%) and LaVIN-7B (89.41\%).

Simulation optimization (SO) is frequently challenged by noisy evaluations, high computational costs, and complex, multimodal search landscapes. This paper introduces Tabu-Enhanced Simulation Optimization (TESO), a novel metaheuristic framework integrating adaptive search with memory-based strategies. TESO leverages a short-term Tabu List to prevent cycling and encourage diversification, and a long-term Elite Memory to guide intensification by perturbing high-performing solutions. An aspiration criterion allows overriding tabu restrictions for exceptional candidates. This combination facilitates a dynamic balance between exploration and exploitation in stochastic environments. We demonstrate TESO's effectiveness and reliability using an queue optimization problem, showing improved performance compared to benchmarks and validating the contribution of its memory components. Source code and data are available at: https://github.com/bulentsoykan/TESO.

Algorithms for min-max optimization and variational inequalities are often studied under monotonicity assumptions. Motivated by non-monotone machine learning applications, we follow the line of works [Diakonikolas et al., 2021, Lee and Kim, 2021, Pethick et al., 2022, B\"ohm, 2022] aiming at going beyond monotonicity by considering the weaker negative comonotonicity assumption. In particular, we provide tight complexity analyses for the Proximal Point, Extragradient, and Optimistic Gradient methods in this setup, closing some questions on their working guarantees beyond monotonicity.

Expert parallelism has been introduced as a strategy to distribute the computational workload of sparsely-gated mixture-of-experts (MoE) models across multiple computing devices, facilitating the execution of these increasingly large-scale models. However, the All-to-All communication intrinsic to expert parallelism constitutes a significant overhead, diminishing the MoE models' efficiency. Current optimization approaches offer some relief, yet they are constrained by the sequential interdependence of communication and computation operations. To address this limitation, we present a novel shortcut-connected MoE architecture with overlapping parallel strategy, designated as ScMoE, which effectively decouples communication from its conventional sequence, allowing for a substantial overlap of 70% to 100% with computation. When compared with the prevalent top-2 MoE architecture, ScMoE demonstrates training speed improvements of 30% and 11%, and inference improvements of 40% and 15%, in our PCIe and NVLink hardware environments, respectively, where communication constitutes 60% and 15% of the total MoE time consumption. On the other hand, extensive experiments and theoretical analyses indicate that ScMoE not only achieves comparable but in some instances surpasses the model quality of existing approaches in vision and language tasks.

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.

Diffusion Transformers (DiT) have become the de-facto model for generating high-quality visual content like videos and images. A huge bottleneck is the attention mechanism where complexity scales quadratically with resolution and video length. One logical way to lessen this burden is sparse attention, where only a subset of tokens or patches are included in the calculation. However, existing techniques fail to preserve visual quality at extremely high sparsity levels and might even incur non-negligible compute overheads. % To address this concern, we propose Re-ttention, which implements very high sparse attention for visual generation models by leveraging the temporal redundancy of Diffusion Models to overcome the probabilistic normalization shift within the attention mechanism. Specifically, Re-ttention reshapes attention scores based on the prior softmax distribution history in order to preserve the visual quality of the full quadratic attention at very high sparsity levels. % Experimental results on T2V/T2I models such as CogVideoX and the PixArt DiTs demonstrate that Re-ttention requires as few as 3.1\% of the tokens during inference, outperforming contemporary methods like FastDiTAttn, Sparse VideoGen and MInference. Further, we measure latency to show that our method can attain over 45\% end-to-end % and over 92\% self-attention latency reduction on an H100 GPU at negligible overhead cost. Code available online here: https://github.com/cccrrrccc/Re-ttention{https://github.com/cccrrrccc/Re-ttention}

We study gradient compression methods to alleviate the communication bottleneck in data-parallel distributed optimization. Despite the significant attention received, current compression schemes either do not scale well or fail to achieve the target test accuracy. We propose a new low-rank gradient compressor based on power iteration that can i) compress gradients rapidly, ii) efficiently aggregate the compressed gradients using all-reduce, and iii) achieve test performance on par with SGD. The proposed algorithm is the only method evaluated that achieves consistent wall-clock speedups when benchmarked against regular SGD with an optimized communication backend. We demonstrate reduced training times for convolutional networks as well as LSTMs on common datasets. Our code is available at https://github.com/epfml/powersgd.

As the adoption of Generative AI in real-world services grow explosively, energy has emerged as a critical bottleneck resource. However, energy remains a metric that is often overlooked, under-explored, or poorly understood in the context of building ML systems. We present the ML.ENERGY Benchmark, a benchmark suite and tool for measuring inference energy consumption under realistic service environments, and the corresponding ML.ENERGY Leaderboard, which have served as a valuable resource for those hoping to understand and optimize the energy consumption of their generative AI services. In this paper, we explain four key design principles for benchmarking ML energy we have acquired over time, and then describe how they are implemented in the ML.ENERGY Benchmark. We then highlight results from the latest iteration of the benchmark, including energy measurements of 40 widely used model architectures across 6 different tasks, case studies of how ML design choices impact energy consumption, and how automated optimization recommendations can lead to significant (sometimes more than 40%) energy savings without changing what is being computed by the model. The ML.ENERGY Benchmark is open-source and can be easily extended to various customized models and application scenarios.

Recent advances in large language models have brought immense value to the world, with their superior capabilities stemming from the massive number of parameters they utilize. However, even the GPUs with the highest memory capacities, currently peaking at 80GB, are far from sufficient to accommodate these vast parameters and their associated optimizer states when conducting stochastic gradient descent-based optimization. One approach to hosting such huge models is to aggregate device memory from many GPUs. However, this approach introduces prohibitive costs for most academic researchers, who always have a limited budget for many high-end GPU servers. In this paper, we focus on huge model fine-tuning on a single, even low-end, GPU in a commodity server, which is accessible to most AI researchers. In such a scenario, the state-of-the-art work ZeRO-Infinity suffers from two severe issues when running in a commodity server: 1) low GPU utilization due to inefficient swapping, and 2) limited trainable model size due to CPU memory capacity. The underlying reason is that ZeRO-Infinity is optimized for running on high-end GPU servers. To this end, we present Fuyou, a low-cost training framework that enables efficient 100B huge model fine-tuning on a low-end server with a low-end GPU and limited CPU memory capacity. The key idea is to add the SSD-CPU communication as an optimization dimension and thus carefully co-optimize computation and data swapping from a systematic approach to maximize GPU utilization. The experimental results show that 1) Fuyou is able to fine-tune 175B GPT-3 on a consumer GPU RTX 4090 with high GPU utilization, while ZeRO-Infinity fails to fine-tune; and 2) when training a small GPT-3 13B model, Fuyou achieves 156 TFLOPS on an RTX 4090 GPU while ZeRO-Infinity only achieves 45 TFLOPS.

The deployment and training of neural networks on edge computing devices pose many challenges. The low memory nature of edge devices is often one of the biggest limiting factors encountered in the deployment of large neural network models. Tensor rematerialization or recompute is a way to address high memory requirements for neural network training and inference. In this paper we consider the problem of execution time minimization of compute graphs subject to a memory budget. In particular, we develop a new constraint programming formulation called Moccasin with only O(n) integer variables, where n is the number of nodes in the compute graph. This is a significant improvement over the works in the recent literature that propose formulations with O(n^2) Boolean variables. We present numerical studies that show that our approach is up to an order of magnitude faster than recent work especially for large-scale graphs.

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

Pretrained transformers achieve the state of the art across tasks in natural language processing, motivating researchers to investigate their inner mechanisms. One common direction is to understand what features are important for prediction. In this paper, we apply information bottlenecks to analyze the attribution of each feature for prediction on a black-box model. We use BERT as the example and evaluate our approach both quantitatively and qualitatively. We show the effectiveness of our method in terms of attribution and the ability to provide insight into how information flows through layers. We demonstrate that our technique outperforms two competitive methods in degradation tests on four datasets. Code is available at https://github.com/bazingagin/IBA.

Fine-tuning large language models (LLMs) remains resource-intensive due to their sheer scale. While zeroth-order (ZO) optimization provides a memory-efficient alternative by eliminating backward passes, its application to multi-hundred-billion-parameter models is constrained by GPU memory and compute throughput. The ZO2 framework addresses the memory bottleneck by offloading model parameters to CPU memory and overlapping transformer block transfer with dual forward computation on a single GPU. However, ZO2 remains limited by its single-device execution and achieves modest throughput. In this work, we present DistZO2, a high-throughput, memory-efficient framework for distributed zeroth-order fine-tuning of LLMs. DistZO2 introduces three parallel strategies: (1) Perturbation Parallelism (PertP), which parallelizes the two perturbed forward passes across devices; (2) Distributed Data Parallelism (DDP), adapted to the scalar-gradient nature of ZO training; and (3) a unified 2D Parallelism design that combines PertP and DDP. To further mitigate communication bottlenecks introduced by parameter offloading, we propose a hardware-aware communication strategy that slices parameter blocks and redistributes them across GPUs via high-speed interconnects such as NVLink. DistZO2 scales zeroth-order fine-tuning to modern multi-GPU systems, preserving ZO2's memory efficiency while substantially improving training throughput. In our experiments on OPT-175B, DistZO2 achieves a 3x speedup over ZO2 with distributed computing. DistZO2's code has been open-sourced in https://github.com/liangyuwang/zo2.

With the advent of large language models (LLMs) like GPT-3, a natural question is the extent to which these models can be utilized for source code optimization. This paper presents methodologically stringent case studies applied to well-known open source python libraries pillow and numpy. We find that contemporary LLM ChatGPT-4 (state September and October 2023) is surprisingly adept at optimizing energy and compute efficiency. However, this is only the case in interactive use, with a human expert in the loop. Aware of experimenter bias, we document our qualitative approach in detail, and provide transcript and source code. We start by providing a detailed description of our approach in conversing with the LLM to optimize the _getextrema function in the pillow library, and a quantitative evaluation of the performance improvement. To demonstrate qualitative replicability, we report further attempts on another locus in the pillow library, and one code locus in the numpy library, to demonstrate generalization within and beyond a library. In all attempts, the performance improvement is significant (factor up to 38). We have also not omitted reporting of failed attempts (there were none). We conclude that LLMs are a promising tool for code optimization in open source libraries, but that the human expert in the loop is essential for success. Nonetheless, we were surprised by how few iterations were required to achieve substantial performance improvements that were not obvious to the expert in the loop. We would like bring attention to the qualitative nature of this study, more robust quantitative studies would need to introduce a layer of selecting experts in a representative sample -- we invite the community to collaborate.

Stateful optimizers maintain gradient statistics over time, e.g., the exponentially smoothed sum (SGD with momentum) or squared sum (Adam) of past gradient values. This state can be used to accelerate optimization compared to plain stochastic gradient descent but uses memory that might otherwise be allocated to model parameters, thereby limiting the maximum size of models trained in practice. In this paper, we develop the first optimizers that use 8-bit statistics while maintaining the performance levels of using 32-bit optimizer states. To overcome the resulting computational, quantization, and stability challenges, we develop block-wise dynamic quantization. Block-wise quantization divides input tensors into smaller blocks that are independently quantized. Each block is processed in parallel across cores, yielding faster optimization and high precision quantization. To maintain stability and performance, we combine block-wise quantization with two additional changes: (1) dynamic quantization, a form of non-linear optimization that is precise for both large and small magnitude values, and (2) a stable embedding layer to reduce gradient variance that comes from the highly non-uniform distribution of input tokens in language models. As a result, our 8-bit optimizers maintain 32-bit performance with a small fraction of the memory footprint on a range of tasks, including 1.5B parameter language modeling, GLUE finetuning, ImageNet classification, WMT'14 machine translation, MoCo v2 contrastive ImageNet pretraining+finetuning, and RoBERTa pretraining, without changes to the original optimizer hyperparameters. We open-source our 8-bit optimizers as a drop-in replacement that only requires a two-line code change.

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

Scaling the size of language models to tens of billions of parameters has led to impressive performance on a wide range of tasks. At generation, these models are used auto-regressively, requiring a forward pass for each generated token, and thus reading the full set of parameters from memory. This memory access forms the primary bottleneck for generation and it worsens as the model size increases. Moreover, executing a forward pass for multiple tokens in parallel often takes nearly the same time as it does for just one token. These two observations lead to the development of speculative sampling, where a second smaller model is used to draft a few tokens, that are then validated or rejected using a single forward pass of the large model. Unfortunately, this method requires two models that share the same tokenizer and thus limits its adoption. As an alternative, we propose to use parallel decoding as a way to draft multiple tokens from a single model with no computational cost, nor the need for a second model. Our approach only requires an additional input token that marks the words that will be generated simultaneously. We show promising performance (up to 30% speed-up) while requiring only as few as O(d_{emb}) additional parameters.

In large language models like the Generative Pre-trained Transformer, the Mixture of Experts paradigm has emerged as a powerful technique for enhancing model expressiveness and accuracy. However, deploying GPT MoE models for parallel inference on distributed systems presents significant challenges, primarily due to the extensive Alltoall communication required for expert routing and aggregation. This communication bottleneck exacerbates the already complex computational landscape, hindering the efficient utilization of high-performance computing resources. In this paper, we propose a lightweight optimization technique called ExFlow, to largely accelerate the inference of these MoE models. We take a new perspective on alleviating the communication overhead by exploiting the inter-layer expert affinity. Unlike previous methods, our solution can be directly applied to pre-trained MoE models without any fine-tuning or accuracy degradation. By proposing a context-coherent expert parallelism on distributed systems, our design only uses one Alltoall communication to deliver the same functionality while previous methods all require two Alltoalls. By carefully examining the conditional probability in tokens' routing across multiple layers, we proved that pre-trained GPT MoE models implicitly exhibit a strong inter-layer expert affinity. We then design an efficient integer programming model to capture such features and show that by properly placing the experts on corresponding GPUs, we can reduce up to 67% cross-GPU routing latency. Our solution beats the cutting-edge MoE implementations with experts from 8 to 64, with up to 2.2x improvement in inference throughput. We further provide a detailed study of how the model implicitly acquires this expert affinity at the very early training stage and how this affinity evolves and stabilizes during training.

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

The efficiency of large vision-language models (LVLMs) is constrained by the computational bottleneck of the attention mechanism during the prefill phase and the memory bottleneck of fetching the key-value (KV) cache in the decoding phase, particularly in scenarios involving high-resolution images or videos. Visual content often exhibits substantial redundancy, resulting in highly sparse attention maps within LVLMs. This sparsity can be leveraged to accelerate attention computation or compress the KV cache through various approaches. However, most studies focus on addressing only one of these bottlenecks and do not adequately support dynamic adjustment of sparsity concerning distinct layers or tasks. In this paper, we present ZipVL, an efficient inference framework designed for LVLMs that resolves both computation and memory bottlenecks through a dynamic ratio allocation strategy of important tokens. This ratio is adaptively determined based on the layer-specific distribution of attention scores, rather than fixed hyper-parameters, thereby improving efficiency for less complex tasks while maintaining high performance for more challenging ones. Then we select important tokens based on their normalized attention scores and perform attention mechanism solely on those important tokens to accelerate the prefill phase. To mitigate the memory bottleneck in the decoding phase, we employ mixed-precision quantization to the KV cache, where high-bit quantization is used for caches of important tokens, while low-bit quantization is applied to those of less importance. Our experiments demonstrate that ZipVL can accelerate the prefill phase by 2.6times and reduce GPU memory usage by 50.0%, with a minimal accuracy reduction of only 0.2% on Video-MME benchmark over LongVA-7B model, effectively enhancing the generation efficiency of LVLMs.

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

Training large models with distributed data parallelism (DDP) requires frequent communication of gradients across workers, which can saturate bandwidth. Infrequent communication strategies (e.g., Local SGD) reduce this overhead but, when applied to adaptive optimizers, often suffer a performance gap relative to fully synchronous DDP. We trace this gap to a time-scale mismatch: the optimizer's fast-moving momentum, tuned for frequent updates, decays too quickly to smooth gradients over long intervals, leading to noise-dominated optimization. To address this, we propose MT-DAO, a family of optimizers that employs multiple slow- and fast-moving first momenta or the gradient to track update dynamics across different time scales, for which we provide the first convergence guarantees. Empirically, for language-model pre-training, this eliminates the performance gap with DDP, outperforming infrequent-communication baselines in perplexity and reducing iso-token wall-clock time by 6-27% on Ethernet interconnects. At the 720M scale, MT-DAO reaches a target perplexity in 24% fewer steps and 35% less time than the single-momentum DDP baseline. MT-DAO enables effective cross-datacenter training and training over wide geographic areas.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

We introduce RL4CO, an extensive reinforcement learning (RL) for combinatorial optimization (CO) benchmark. RL4CO employs state-of-the-art software libraries as well as best practices in implementation, such as modularity and configuration management, to be efficient and easily modifiable by researchers for adaptations of neural network architecture, environments, and algorithms. Contrary to the existing focus on specific tasks like the traveling salesman problem (TSP) for performance assessment, we underline the importance of scalability and generalization capabilities for diverse optimization tasks. We also systematically benchmark sample efficiency, zero-shot generalization, and adaptability to changes in data distributions of various models. Our experiments show that some recent state-of-the-art methods fall behind their predecessors when evaluated using these new metrics, suggesting the necessity for a more balanced view of the performance of neural CO solvers. We hope RL4CO will encourage the exploration of novel solutions to complex real-world tasks, allowing to compare with existing methods through a standardized interface that decouples the science from the software engineering. We make our library publicly available at https://github.com/kaist-silab/rl4co.

Recently, using automatic configuration tuning to improve the performance of modern database management systems (DBMSs) has attracted increasing interest from the database community. This is embodied with a number of systems featuring advanced tuning capabilities being developed. However, it remains a challenge to select the best solution for database configuration tuning, considering the large body of algorithm choices. In addition, beyond the applications on database systems, we could find more potential algorithms designed for configuration tuning. To this end, this paper provides a comprehensive evaluation of configuration tuning techniques from a broader perspective, hoping to better benefit the database community. In particular, we summarize three key modules of database configuration tuning systems and conduct extensive ablation studies using various challenging cases. Our evaluation demonstrates that the hyper-parameter optimization algorithms can be borrowed to further enhance the database configuration tuning. Moreover, we identify the best algorithm choices for different modules. Beyond the comprehensive evaluations, we offer an efficient and unified database configuration tuning benchmark via surrogates that reduces the evaluation cost to a minimum, allowing for extensive runs and analysis of new techniques.

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.

Foundation models have achieved remarkable success across video, image, and language domains. By scaling up the number of parameters and training datasets, these models acquire generalizable world knowledge and often surpass task-specific approaches. However, such progress has yet to extend to the domain of physics simulation. A primary bottleneck is data scarcity: while millions of images, videos, and textual resources are readily available on the internet, the largest physics simulation datasets contain only tens of thousands of samples. This data limitation hinders the use of large models, as overfitting becomes a major concern. As a result, physics applications typically rely on small models, which struggle with long-range prediction due to limited context understanding. Additionally, unlike images, videos, or text-which typically exhibit fixed granularity-physics datasets often vary drastically in scale, amplifying the challenges of scaling up multitask training. We introduce PhysiX, the first large-scale foundation model for physics simulation. PhysiX is a 4.5B parameter autoregressive generative model. It uses a discrete tokenizer to encode physical processes at different scales into a sequence of discrete tokens, and employs an autoregressive next-token prediction objective to model such processes in the token space. To mitigate the rounding error in the discretization process, PhysiX incorporates a specialized refinement module. Through extensive experiments, we show that PhysiX effectively addresses the data bottleneck, outperforming task-specific baselines under comparable settings as well as the previous absolute state-of-the-art approaches on The Well benchmark. Our results indicate that knowledge learned from natural videos can be successfully transferred to physics simulation, and that joint training across diverse simulation tasks enables synergistic learning.