Daily Papers

The realm of Mamba for vision has been advanced in recent years to strike for the alternatives of Vision Transformers (ViTs) that suffer from the quadratic complexity. While the recurrent scanning mechanism of Mamba offers computational efficiency, it inherently limits non-causal interactions between image patches. Prior works have attempted to address this limitation through various multi-scan strategies; however, these approaches suffer from inefficiencies due to suboptimal scan designs and frequent data rearrangement. Moreover, Mamba exhibits relatively slow computational speed under short token lengths, commonly used in visual tasks. In pursuit of a truly efficient vision encoder, we rethink the scan operation for vision and the computational efficiency of Mamba. To this end, we propose SF-Mamba, a novel visual Mamba with two key proposals: auxiliary patch swapping for encoding bidirectional information flow under an unidirectional scan and batch folding with periodic state reset for advanced GPU parallelism. Extensive experiments on image classification, object detection, and instance and semantic segmentation consistently demonstrate that our proposed SF-Mamba significantly outperforms state-of-the-art baselines while improving throughput across different model sizes. We will release the source code after publication.

Cloth folding is a complex task due to the inevitable self-occlusions of clothes, their complicated dynamics, and the disparate materials, geometries, and textures that garments can have. In this work, we learn folding actions conditioned on text commands. Translating high-level, abstract instructions into precise robotic actions requires sophisticated language understanding and manipulation capabilities. To do that, we leverage a pre-trained vision-language model and repurpose it to predict manipulation actions. Our model, BiFold, can take context into account and achieves state-of-the-art performance on an existing language-conditioned folding benchmark. Given the lack of annotated bimanual folding data, we devise a procedure to automatically parse actions of a simulated dataset and tag them with aligned text instructions. BiFold attains the best performance on our dataset and can transfer to new instructions, garments, and environments.

Speculative decoding speeds up LLM inference by using a small draft model to propose multiple tokens that a target model verifies in parallel. Extending this idea to batches is essential for production serving, but it introduces the ragged tensor problem: sequences in the same batch accept different numbers of draft tokens, breaking right-alignment and corrupting position IDs, attention masks, and KV-cache state. We show that several existing batch implementations violate output equivalence-the fundamental requirement that speculative decoding must produce identical token sequences to standard autoregressive generation. These violations occur precisely due to improper handling of the ragged tensor problem. In response, we (1) characterize the synchronization requirements that guarantee correctness, (2) present a correctness-first batch speculative decoding EQSPEC that exposes realignment as consuming 40% of overhead, and (3) introduce EXSPEC, which maintains a sliding pool of sequences and dynamically forms same-length groups, to reduce the realignment overhead while preserving per-sequence speculative speedups. On the SpecBench dataset, across Vicuna-7B/68M, Qwen3-8B/0.6B, and GLM-4-9B/0.6B target/draft pairs, our approach achieves up to 3times throughput improvement at batch size 8 compared to batch size 1, with efficient scaling through batch size 8, while maintaining 95% output equivalence. Our method requires no custom kernels and integrates cleanly with existing inference stacks. Our code is available at https://github.com/eBay/spec_dec.

Highly accurate biomolecular structure prediction is a key component of developing biomolecular foundation models, and one of the most critical aspects of building foundation models is identifying the recipes for scaling the model. In this work, we present SeedFold, a folding model that successfully scales up the model capacity. Our contributions are threefold: first, we identify an effective width-scaling strategy for the Pairformer to increase representation capacity; second, we introduce a novel linear triangular attention that reduces computational complexity to enable efficient scaling; finally, we construct a large-scale distillation dataset to substantially enlarge the training set. Experiments on FoldBench show that SeedFold outperforms AlphaFold3 on most protein-related tasks.

In value-based deep reinforcement learning with replay memories, the batch size parameter specifies how many transitions to sample for each gradient update. Although critical to the learning process, this value is typically not adjusted when proposing new algorithms. In this work we present a broad empirical study that suggests {\em reducing} the batch size can result in a number of significant performance gains; this is surprising, as the general tendency when training neural networks is towards larger batch sizes for improved performance. We complement our experimental findings with a set of empirical analyses towards better understanding this phenomenon.

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.

Recent findings suggest that consecutive layers of neural networks with the ReLU activation function fold the input space during the learning process. While many works hint at this phenomenon, an approach to quantify the folding was only recently proposed by means of a space folding measure based on Hamming distance in the ReLU activation space. We generalize this measure to a wider class of activation functions through introduction of equivalence classes of input data, analyse its mathematical and computational properties and come up with an efficient sampling strategy for its implementation. Moreover, it has been observed that space folding values increase with network depth when the generalization error is low, but decrease when the error increases. This underpins that learned symmetries in the data manifold (e.g., invariance under reflection) become visible in terms of space folds, contributing to the network's generalization capacity. Inspired by these findings, we outline a novel regularization scheme that encourages the network to seek solutions characterized by higher folding values.

Protein folding models have achieved groundbreaking results typically via a combination of integrating domain knowledge into the architectural blocks and training pipelines. Nonetheless, given the success of generative models across different but related problems, it is natural to question whether these architectural designs are a necessary condition to build performant models. In this paper, we introduce SimpleFold, the first flow-matching based protein folding model that solely uses general purpose transformer blocks. Protein folding models typically employ computationally expensive modules involving triangular updates, explicit pair representations or multiple training objectives curated for this specific domain. Instead, SimpleFold employs standard transformer blocks with adaptive layers and is trained via a generative flow-matching objective with an additional structural term. We scale SimpleFold to 3B parameters and train it on approximately 9M distilled protein structures together with experimental PDB data. On standard folding benchmarks, SimpleFold-3B achieves competitive performance compared to state-of-the-art baselines, in addition SimpleFold demonstrates strong performance in ensemble prediction which is typically difficult for models trained via deterministic reconstruction objectives. Due to its general-purpose architecture, SimpleFold shows efficiency in deployment and inference on consumer-level hardware. SimpleFold challenges the reliance on complex domain-specific architectures designs in protein folding, opening up an alternative design space for future progress.

Large language model (LLM) agents are fundamentally constrained by context length on long-horizon tasks. We introduce Context-Folding, a framework that empowers agents to actively manage their working context. An agent can procedurally branch into a sub-trajectory to handle a subtask and then fold it upon completion, collapsing the intermediate steps while retaining a concise summary of the outcome. To make this behavior learnable, we develop an end-to-end reinforcement learning framework FoldGRPO with specific process rewards to encourage effective task decomposition and context management. On complex long-horizon tasks (Deep Research and SWE), our folding agent matches or outperforms the ReAct baselines while using an active context 10times smaller and significantly outperforms models that rely on summarization-based context management.

Recurrent Neural Network (RNN) inference exhibits low hardware utilization due to the strict data dependencies across time-steps. Batching multiple requests can increase throughput. However, RNN batching requires a large amount of padding since the batched input sequences may largely differ in length. Schemes that dynamically update the batch every few time-steps avoid padding. However, they require executing different RNN layers in a short timespan, decreasing energy efficiency. Hence, we propose E-BATCH, a low-latency and energy-efficient batching scheme tailored to RNN accelerators. It consists of a runtime system and effective hardware support. The runtime concatenates multiple sequences to create large batches, resulting in substantial energy savings. Furthermore, the accelerator notifies it when the evaluation of a sequence is done, so that a new sequence can be immediately added to a batch, thus largely reducing the amount of padding. E-BATCH dynamically controls the number of time-steps evaluated per batch to achieve the best trade-off between latency and energy efficiency for the given hardware platform. We evaluate E-BATCH on top of E-PUR and TPU. In E-PUR, E-BATCH improves throughput by 1.8x and energy-efficiency by 3.6x, whereas in TPU, it improves throughput by 2.1x and energy-efficiency by 1.6x, over the state-of-the-art.

Recent findings suggest that the consecutive layers of ReLU neural networks can be understood geometrically as space folding transformations of the input space, revealing patterns of self-similarity. In this paper, we present the first quantitative analysis of this space folding phenomenon in ReLU neural networks. Our approach focuses on examining how straight paths in the Euclidean input space are mapped to their counterparts in the Hamming activation space. In this process, the convexity of straight lines is generally lost, giving rise to non-convex folding behavior. To quantify this effect, we introduce a novel measure based on range metrics, similar to those used in the study of random walks, and provide the proof for the equivalence of convexity notions between the input and activation spaces. Furthermore, we provide empirical analysis on a geometrical analysis benchmark (CantorNet) as well as an image classification benchmark (MNIST). Our work advances the understanding of the activation space in ReLU neural networks by leveraging the phenomena of geometric folding, providing valuable insights on how these models process input information.

Many LLM tasks are performed in large batches or even offline, and the performance indictor for which is throughput. These tasks usually show the characteristic of prefix sharing, where different prompt input can partially show the common prefix. However, the existing LLM inference engines tend to optimize the streaming requests and show limitations of supporting the large batched tasks with the prefix sharing characteristic. The existing solutions use the LRU-based cache to reuse the KV context of common prefix. The KV context that is about to be reused may prematurely be evicted with the implicit cache management. Even if not evicted, the lifetime of the shared KV context is extended since requests sharing the same context are not scheduled together, resulting in larger memory usage. These streaming oriented systems schedule the requests in the first-come-first-serve or similar order. As a result, the requests with larger ratio of decoding steps may be scheduled too late to be able to mix with the prefill chunks to increase the hardware utilization. Besides, the token and request number based batching can limit the size of token-batch, which keeps the GPU from saturating for the iterations dominated by decoding tokens. We propose BatchLLM to address the above problems. BatchLLM explicitly identifies the common prefixes globally. The requests sharing the same prefix will be scheduled together to reuse the KV context the best, which also shrinks the lifetime of common KV memory. BatchLLM reorders the requests and schedules the requests with larger ratio of decoding first to better mix the decoding tokens with the latter prefill chunks and applies memory-centric token batching to enlarge the token-batch sizes, which helps to increase the GPU utilization. Extensive evaluation shows that BatchLLM outperforms vLLM by 1.1x to 2x on a set of microbenchmarks and two typical industry workloads.

Long-horizon reinforcement learning (RL) for large language models faces critical scalability challenges from unbounded context growth, leading to context folding methods that compress interaction history during task execution. However, existing approaches treat summary actions as standard actions, overlooking that summaries fundamentally modify the agent's future observation space, creating a policy-dependent, non-stationary observation distribution that violates core RL assumptions. This introduces three fundamental challenges: (1) gradient dilution where summary tokens receive insufficient training signal, (2) self-conditioning where policy updates change summary distributions, creating a vicious cycle of training collapse, and (3) computational cost from processing unique contexts at each turn. We introduce FoldActhttps://github.com/SHAO-Jiaqi757/FoldAct, a framework that explicitly addresses these challenges through three key innovations: separated loss computation for independent gradient signals on summary and action tokens, full context consistency loss to reduce distribution shift, and selective segment training to reduce computational cost. Our method enables stable training of long-horizon search agents with context folding, addressing the non-stationary observation problem while improving training efficiency with 5.19times speedup.

Garment folding is a common yet challenging task in robotic manipulation. The deformability of garments leads to a vast state space and complex dynamics, which complicates precise and fine-grained manipulation. Previous approaches often rely on predefined key points or demonstrations, limiting their generalization across diverse garment categories. This paper presents a framework, MetaFold, that disentangles task planning from action prediction, learning each independently to enhance model generalization. It employs language-guided point cloud trajectory generation for task planning and a low-level foundation model for action prediction. This structure facilitates multi-category learning, enabling the model to adapt flexibly to various user instructions and folding tasks. Experimental results demonstrate the superiority of our proposed framework. Supplementary materials are available on our website: https://meta-fold.github.io/.

Transformer models struggle with long-context inference due to their quadratic time and linear memory complexity. Recurrent Memory Transformers (RMTs) offer a solution by reducing the asymptotic cost to linear time and constant memory usage. However, their memory update mechanism leads to sequential execution, causing a performance bottleneck. We introduce Diagonal Batching, a scheduling scheme that unlocks parallelism across segments in RMTs while preserving exact recurrence. This approach eliminates the sequential constraint, enabling efficient GPU inference even for single long-context inputs without complex batching and pipelining techniques. Because the technique is purely a run-time computation reordering, existing RMT models adopt it with no retraining. Applied to a LLaMA-1B ARMT model, Diagonal Batching yields a 3.3x speedup over standard full-attention LLaMA-1B and a 1.8x speedup over the sequential RMT implementation on 131,072-token sequences. By removing sequential bottleneck, Diagonal Batching reduces inference cost and latency, thereby strengthening RMTs as a practical solution for real-world, long-context applications.

The concept of Critical Batch Size, as pioneered by OpenAI, has long served as a foundational principle for large-scale pre-training. However, with the paradigm shift towards the Warmup-Stable-Decay (WSD) learning rate scheduler, we observe that the original theoretical framework and its underlying mechanisms fail to align with new pre-training dynamics. To bridge this gap between theory and practice, this paper derives a revised E(S) relationship tailored for WSD scheduler, characterizing the trade-off between training data consumption E and steps S during pre-training. Our theoretical analysis reveals two fundamental properties of WSD-based pre-training: 1) B_min, the minimum batch size threshold required to achieve a target loss, and 2) B_opt, the optimal batch size that maximizes data efficiency by minimizing total tokens. Building upon these properties, we propose a dynamic Batch Size Scheduler. Extensive experiments demonstrate that our revised formula precisely captures the dynamics of large-scale pre-training, and the resulting scheduling strategy significantly enhances both training efficiency and final model quality.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

Consistency and reliability are crucial for conducting AI research. Many famous research fields, such as object detection, have been compared and validated with solid benchmark frameworks. After AlphaFold2, the protein folding task has entered a new phase, and many methods are proposed based on the component of AlphaFold2. The importance of a unified research framework in protein folding contains implementations and benchmarks to consistently and fairly compare various approaches. To achieve this, we present Solvent, an protein folding framework that supports significant components of state-of-th-arts models in the manner of off-the-shelf interface Solvent contains different models implemented in a unified codebase and supports training and evaluation for defined models on the same dataset. We benchmark well-known algorithms and their components and provide experiments that give helpful insights into the protein structure modeling field. We hope that Solvent will increase the reliability and consistency of proposed models and gives efficiency in both speed and costs, resulting in acceleration on protein folding modeling research. The code is available at https://github.com/kakaobrain/solvent, and the project will continue to be developed.

As the ever-increasing token limits of large language models (LLMs) have enabled long context as input, prompting with single data samples might no longer an efficient way. A straightforward strategy improving efficiency is to batch data within the token limit (e.g., 8k for gpt-3.5-turbo; 32k for GPT-4), which we call BatchPrompt. We have two initial observations for prompting with batched data. First, we find that prompting with batched data in longer contexts will inevitably lead to worse performance, compared to single-data prompting. Second, the performance of the language model is significantly correlated with the positions and order of the batched data, due to the corresponding change in decoder context. To retain efficiency and overcome performance loss, we propose Batch Permutation and Ensembling (BPE), and a novel Self-reflection-guided EArly Stopping (SEAS) technique. Our comprehensive experimental evaluation demonstrates that BPE can boost the performance of BatchPrompt with a striking margin on a range of popular NLP tasks, including question answering (Boolq), textual entailment (RTE), and duplicate questions identification (QQP). These performances are even competitive with/higher than single-data prompting(SinglePrompt), while BatchPrompt requires much fewer LLM calls and input tokens (For SinglePrompt v.s. BatchPrompt with batch size 32, using just 9%-16% the number of LLM calls, Boolq accuracy 90.6% to 90.9% with 27.4% tokens, QQP accuracy 87.2% to 88.4% with 18.6% tokens, RTE accuracy 91.5% to 91.1% with 30.8% tokens). To the best of our knowledge, this is the first work to technically improve prompting efficiency of large language models. We hope our simple yet effective approach will shed light on the future research of large language models. The code will be released.

Data curation is an essential component of large-scale pretraining. In this work, we demonstrate that jointly selecting batches of data is more effective for learning than selecting examples independently. Multimodal contrastive objectives expose the dependencies between data and thus naturally yield criteria for measuring the joint learnability of a batch. We derive a simple and tractable algorithm for selecting such batches, which significantly accelerate training beyond individually-prioritized data points. As performance improves by selecting from larger super-batches, we also leverage recent advances in model approximation to reduce the associated computational overhead. As a result, our approach--multimodal contrastive learning with joint example selection (JEST)--surpasses state-of-the-art models with up to 13times fewer iterations and 10times less computation. Essential to the performance of JEST is the ability to steer the data selection process towards the distribution of smaller, well-curated datasets via pretrained reference models, exposing the level of data curation as a new dimension for neural scaling laws.

Significant progress has been made in automatic text evaluation with the introduction of large language models (LLMs) as evaluators. However, current sample-wise evaluation paradigm suffers from the following issues: (1) Sensitive to prompt design; (2) Poor resistance to noise; (3) Inferior ensemble performance with static reference. Inspired by the fact that humans treat both criterion definition and inter sample comparison as references for evaluation, we propose BatchEval, a paradigm that conducts batch-wise evaluation iteratively to alleviate the above problems. We explore variants under this paradigm and confirm the optimal settings are two stage procedure with heterogeneous batch composition strategy and decimal scoring format. Comprehensive experiments across 3 LLMs on 4 text evaluation tasks demonstrate that BatchEval outperforms state-of-the-art methods by 10.5% on Pearson correlations with only 64% API cost on average. Further analyses have been conducted to verify the robustness, generalization, and working mechanism of BatchEval.

Contrastive learning (CL) is a prevalent technique for training embedding models, which pulls semantically similar examples (positives) closer in the representation space while pushing dissimilar ones (negatives) further apart. A key source of negatives are 'in-batch' examples, i.e., positives from other examples in the batch. Effectiveness of such models is hence strongly influenced by the size and quality of training batches. In this work, we propose 'Breaking the Batch Barrier' (B3), a novel batch construction strategy designed to curate high-quality batches for CL. Our approach begins by using a pretrained teacher embedding model to rank all examples in the dataset, from which a sparse similarity graph is constructed. A community detection algorithm is then applied to this graph to identify clusters of examples that serve as strong negatives for one another. The clusters are then used to construct batches that are rich in in-batch negatives. Empirical results on the MMEB multimodal embedding benchmark (36 tasks) demonstrate that our method sets a new state of the art, outperforming previous best methods by +1.3 and +2.9 points at the 7B and 2B model scales, respectively. Notably, models trained with B3 surpass existing state-of-the-art results even with a batch size as small as 64, which is 4-16x smaller than that required by other methods.

We present a novel Learning from Demonstration (LfD) method, Deformable Manipulation from Demonstrations (DMfD), to solve deformable manipulation tasks using states or images as inputs, given expert demonstrations. Our method uses demonstrations in three different ways, and balances the trade-off between exploring the environment online and using guidance from experts to explore high dimensional spaces effectively. We test DMfD on a set of representative manipulation tasks for a 1-dimensional rope and a 2-dimensional cloth from the SoftGym suite of tasks, each with state and image observations. Our method exceeds baseline performance by up to 12.9% for state-based tasks and up to 33.44% on image-based tasks, with comparable or better robustness to randomness. Additionally, we create two challenging environments for folding a 2D cloth using image-based observations, and set a performance benchmark for them. We deploy DMfD on a real robot with a minimal loss in normalized performance during real-world execution compared to simulation (~6%). Source code is on github.com/uscresl/dmfd

Large language models (LLMs) propel the prosperity of interactive AI applications showcased by ChatGPT that demand timely response of inference services. However, LLM inference is computation intensive and memory intensive, and improper parameter configuration at LLM platforms may exacerbate the inference time. In this paper, we analyze the impact of LLM output token distribution on the inference queueing delay, where the max-token clipping and the batched inference are considered. By formulating an M/G/1 model, we observe that enforcing a maximum output token limit on a very small fraction of inference requests can significantly reduce the queueing delay, and our model facilitates the selection of the optimal limit. For the batch inference, we model the service process as a bulk queue in which the batch processing time is affected by the batch size and the maximum token size inside this batch jointly. The queueing delays of the batching of all buffered requests (dynamic batching), the batching of constant number of requests (fixed batching), and the batching without intra-batch waiting (elastic batching) are derived. Experimental results show that our mathematical models coincide with the event-driven simulations well.

We introduce a practical robotics solution for the task of heterogeneous bagging, requiring the placement of multiple rigid and deformable objects into a deformable bag. This is a difficult task as it features complex interactions between multiple highly deformable objects under limited observability. To tackle these challenges, we propose a robotic system consisting of two learned policies: a rearrangement policy that learns to place multiple rigid objects and fold deformable objects in order to achieve desirable pre-bagging conditions, and a lifting policy to infer suitable grasp points for bi-manual bag lifting. We evaluate these learned policies on a real-world three-arm robot platform that achieves a 70% heterogeneous bagging success rate with novel objects. To facilitate future research and comparison, we also develop a novel heterogeneous bagging simulation benchmark that will be made publicly available.

The exploration and application of Large Language Models (LLMs) is thriving. To reduce deployment costs, continuous batching has become an essential feature in current service frameworks. The effectiveness of continuous batching relies on an accurate estimate of the memory requirements of requests. However, due to the diversity in request output lengths, existing frameworks tend to adopt aggressive or conservative schedulers, which often result in significant overestimation or underestimation of memory consumption. Consequently, they suffer from harmful request evictions or prolonged queuing times, failing to achieve satisfactory throughput under strict Service Level Agreement (SLA) guarantees (a.k.a. goodput), across various LLM application scenarios with differing input-output length distributions. To address this issue, we propose a novel Past-Future scheduler that precisely estimates the peak memory resources required by the running batch via considering the historical distribution of request output lengths and calculating memory occupancy at each future time point. It adapts to applications with all types of input-output length distributions, balancing the trade-off between request queuing and harmful evictions, thereby consistently achieving better goodput. Furthermore, to validate the effectiveness of the proposed scheduler, we developed a high-performance LLM serving framework, LightLLM, that implements the Past-Future scheduler. Compared to existing aggressive or conservative schedulers, LightLLM demonstrates superior goodput, achieving up to 2-3times higher goodput than other schedulers under heavy loads. LightLLM is open source to boost the research in such direction (https://github.com/ModelTC/lightllm).

LLM-based web agents show immense promise for information seeking, yet their effectiveness on long-horizon tasks is hindered by a fundamental trade-off in context management. Prevailing ReAct-based agents suffer from context saturation as they accumulate noisy, raw histories, while methods that fixedly summarize the full history at each step risk the irreversible loss of critical details. Addressing these, we introduce AgentFold, a novel agent paradigm centered on proactive context management, inspired by the human cognitive process of retrospective consolidation. AgentFold treats its context as a dynamic cognitive workspace to be actively sculpted, rather than a passive log to be filled. At each step, it learns to execute a `folding' operation, which manages its historical trajectory at multiple scales: it can perform granular condensations to preserve vital, fine-grained details, or deep consolidations to abstract away entire multi-step sub-tasks. The results on prominent benchmarks are striking: with simple supervised fine-tuning (without continual pre-training or RL), our AgentFold-30B-A3B agent achieves 36.2% on BrowseComp and 47.3% on BrowseComp-ZH. Notably, this performance not only surpasses or matches open-source models of a dramatically larger scale, such as the DeepSeek-V3.1-671B-A37B, but also surpasses leading proprietary agents like OpenAI's o4-mini.

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.

We study the accuracy of differentially private mechanisms in the continual release model. A continual release mechanism receives a sensitive dataset as a stream of T inputs and produces, after receiving each input, an accurate output on the obtained inputs. In contrast, a batch algorithm receives the data as one batch and produces a single output. We provide the first strong lower bounds on the error of continual release mechanisms. In particular, for two fundamental problems that are widely studied and used in the batch model, we show that the worst case error of every continual release algorithm is tilde Omega(T^{1/3}) times larger than that of the best batch algorithm. Previous work shows only a polylogarithimic (in T) gap between the worst case error achievable in these two models; further, for many problems, including the summation of binary attributes, the polylogarithmic gap is tight (Dwork et al., 2010; Chan et al., 2010). Our results show that problems closely related to summation -- specifically, those that require selecting the largest of a set of sums -- are fundamentally harder in the continual release model than in the batch model. Our lower bounds assume only that privacy holds for streams fixed in advance (the "nonadaptive" setting). However, we provide matching upper bounds that hold in a model where privacy is required even for adaptively selected streams. This model may be of independent interest.

During inference for transformer-based large language models (LLM), prefilling is the computation of the key-value (KV) cache for input tokens in the prompt prior to autoregressive generation. For longer input prompt lengths, prefilling will incur a significant overhead on decoding time. In this work, we highlight the following pitfall of prefilling: for batches containing high-varying prompt lengths, significant computation is wasted by the standard practice of padding sequences to the maximum length. As LLMs increasingly support longer context lengths, potentially up to 10 million tokens, variations in prompt lengths within a batch become more pronounced. To address this, we propose Prepacking, a simple yet effective method to optimize prefilling computation. To avoid redundant computation on pad tokens, prepacking combines prompts of varying lengths into a sequence and packs multiple sequences into a compact batch using a bin-packing algorithm. It then modifies the attention mask and positional encoding to compute multiple prefilled KV-caches for multiple prompts within a single sequence. On standard curated dataset containing prompts with varying lengths, we obtain a significant speed and memory efficiency improvements as compared to the default padding-based prefilling computation within Huggingface across a range of base model configurations and inference serving scenarios.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

Diverse outputs in text generation are necessary for effective exploration in complex reasoning tasks, such as code generation and mathematical problem solving. Such Pass@k problems benefit from distinct candidates covering the solution space. However, traditional sampling approaches often waste computational resources on repetitive failure modes. While Diffusion Language Models have emerged as a competitive alternative to the prevailing Autoregressive paradigm, they remain susceptible to this redundancy, with independent samples frequently collapsing into similar modes. To address this, we propose a training free, low cost intervention to enhance generative diversity in Diffusion Language Models. Our approach modifies intermediate samples in a batch sequentially, where each sample is repelled from the feature space of previous samples, actively penalising redundancy. Unlike prior methods that require retraining or beam search, our strategy incurs negligible computational overhead, while ensuring that each sample contributes a unique perspective to the batch. We evaluate our method on the HumanEval and GSM8K benchmarks using the LLaDA-8B-Instruct model. Our results demonstrate significantly improved diversity and Pass@k performance across various temperature settings. As a simple modification to the sampling process, our method offers an immediate, low-cost improvement for current and future Diffusion Language Models in tasks that benefit from diverse solution search. We make our code available at https://github.com/sean-lamont/odd.

Reinforcement learning (RL) has emerged as an effective post-training paradigm for enhancing the reasoning capabilities of multimodal large language model (MLLM). However, current RL pipelines often suffer from training inefficiencies caused by two underexplored issues: Advantage Collapsing, where most advantages in a batch concentrate near zero, and Rollout Silencing, where the proportion of rollouts contributing non-zero gradients diminishes over time. These issues lead to suboptimal gradient updates and hinder long-term learning efficiency. To address these issues, we propose Shuffle-R1, a simple yet principled framework that improves RL fine-tuning efficiency by dynamically restructuring trajectory sampling and batch composition. It introduces (1) Pairwise Trajectory Sampling, which selects high-contrast trajectories with large advantages to improve gradient signal quality, and (2) Advantage-based Trajectory Shuffle, which increases exposure of valuable rollouts through informed batch reshuffling. Experiments across multiple reasoning benchmarks show that our framework consistently outperforms strong RL baselines with minimal overhead. These results highlight the importance of data-centric adaptations for more efficient RL training in MLLM.

The choice of batch sizes in stochastic gradient optimizers is critical for model training. However, the practice of varying batch sizes throughout the training process is less explored compared to other hyperparameters. We investigate adaptive batch size strategies derived from adaptive sampling methods, traditionally applied only in stochastic gradient descent. Given the significant interplay between learning rates and batch sizes, and considering the prevalence of adaptive gradient methods in deep learning, we emphasize the need for adaptive batch size strategies in these contexts. We introduce AdAdaGrad and its scalar variant AdAdaGradNorm, which incrementally increase batch sizes during training, while model updates are performed using AdaGrad and AdaGradNorm. We prove that AdaGradNorm converges with high probability at a rate of O(1/K) for finding a first-order stationary point of smooth nonconvex functions within K iterations. AdaGrad also demonstrates similar convergence properties when integrated with a novel coordinate-wise variant of our adaptive batch size strategies. Our theoretical claims are supported by numerical experiments on various image classification tasks, highlighting the enhanced adaptability of progressive batching protocols in deep learning and the potential of such adaptive batch size strategies with adaptive gradient optimizers in large-scale model training.

Gaussian processes (GP) are one of the most successful frameworks to model uncertainty. However, GP optimization (e.g., GP-UCB) suffers from major scalability issues. Experimental time grows linearly with the number of evaluations, unless candidates are selected in batches (e.g., using GP-BUCB) and evaluated in parallel. Furthermore, computational cost is often prohibitive since algorithms such as GP-BUCB require a time at least quadratic in the number of dimensions and iterations to select each batch. In this paper, we introduce BBKB (Batch Budgeted Kernel Bandits), the first no-regret GP optimization algorithm that provably runs in near-linear time and selects candidates in batches. This is obtained with a new guarantee for the tracking of the posterior variances that allows BBKB to choose increasingly larger batches, improving over GP-BUCB. Moreover, we show that the same bound can be used to adaptively delay costly updates to the sparse GP approximation used by BBKB, achieving a near-constant per-step amortized cost. These findings are then confirmed in several experiments, where BBKB is much faster than state-of-the-art methods.

General-purpose text embedding models underpin a wide range of NLP and information retrieval applications, and are typically trained on large-scale multi-task corpora to encourage broad generalization. However, it remains unclear how different multi-task training strategies compare in practice, and how to efficiently adapt embedding models as new domains and data types continually emerge. In this work, we present a systematic study of multi-task training for text embeddings from two perspectives: data scheduling and model merging. We compare batch-level shuffling, sequential training variants, two-stage training, and multiple merging granularities, and find that simple batch-level shuffling consistently yields the strongest overall performance, suggesting that task conflicts are limited and training datasets are largely complementary. Despite its effectiveness, batch-level shuffling exhibits two practical limitations: suboptimal out-of-domain (OOD) generalization and poor suitability for incremental learning due to expensive full retraining. To address these issues, we propose Bagging-based rObust mOdel Merging (BOOM), which trains multiple embedding models on sampled subsets and merges them into a single model, improving robustness while retaining single-model inference efficiency. Moreover, BOOM naturally supports efficient incremental updates by training lightweight update models on new data with a small historical subset and merging them into the existing model. Experiments across diverse embedding benchmarks demonstrate that BOOM consistently improves both in-domain and OOD performance over full-corpus batch-level shuffling, while substantially reducing training cost in incremental learning settings.

The enormous success of diffusion models in text-to-image synthesis has made them promising candidates for the next generation of end-user applications for image generation and editing. Previous works have focused on improving the usability of diffusion models by reducing the inference time or increasing user interactivity by allowing new, fine-grained controls such as region-based text prompts. However, we empirically find that integrating both branches of works is nontrivial, limiting the potential of diffusion models. To solve this incompatibility, we present StreamMultiDiffusion, the first real-time region-based text-to-image generation framework. By stabilizing fast inference techniques and restructuring the model into a newly proposed multi-prompt stream batch architecture, we achieve times 10 faster panorama generation than existing solutions, and the generation speed of 1.57 FPS in region-based text-to-image synthesis on a single RTX 2080 Ti GPU. Our solution opens up a new paradigm for interactive image generation named semantic palette, where high-quality images are generated in real-time from given multiple hand-drawn regions, encoding prescribed semantic meanings (e.g., eagle, girl). Our code and demo application are available at https://github.com/ironjr/StreamMultiDiffusion.

Deploying ASR models at an industrial scale poses significant challenges in hardware resource management, especially for long-form transcription tasks where audio may last for hours. Large Conformer models, despite their capabilities, are limited to processing only 15 minutes of audio on an 80GB GPU. Furthermore, variable input lengths worsen inefficiencies, as standard batching leads to excessive padding, increasing resource consumption and execution time. To address this, we introduce ChunkFormer, an efficient ASR model that uses chunk-wise processing with relative right context, enabling long audio transcriptions on low-memory GPUs. ChunkFormer handles up to 16 hours of audio on an 80GB GPU, 1.5x longer than the current state-of-the-art FastConformer, while also boosting long-form transcription performance with up to 7.7% absolute reduction on word error rate and maintaining accuracy on shorter tasks compared to Conformer. By eliminating the need for padding in standard batching, ChunkFormer's masked batching technique reduces execution time and memory usage by more than 3x in batch processing, substantially reducing costs for a wide range of ASR systems, particularly regarding GPU resources for models serving in real-world applications.

Conventional wisdom dictates that small batch sizes make language model pretraining and fine-tuning unstable, motivating gradient accumulation, which trades off the number of optimizer steps for a proportional increase in batch size. While it is common to decrease the learning rate for smaller batch sizes, other hyperparameters are often held fixed. In this work, we revisit small batch sizes all the way down to batch size one, and we propose a rule for scaling Adam hyperparameters to small batch sizes. We find that small batch sizes (1) train stably, (2) are consistently more robust to hyperparameter choices, (3) achieve equal or better per-FLOP performance than larger batch sizes, and (4) notably enable stable language model training with vanilla SGD, even without momentum, despite storing no optimizer state. Building on these results, we provide practical recommendations for selecting a batch size and setting optimizer hyperparameters. We further recommend against gradient accumulation unless training on multiple devices with multiple model replicas, bottlenecked by inter-device bandwidth.

This paper presents MoE-Gen, a high-throughput MoE inference system optimized for single-GPU execution. Existing inference systems rely on model-based or continuous batching strategies, originally designed for interactive inference, which result in excessively small batches for MoE's key modules-attention and expert modules-leading to poor throughput. To address this, we introduce module-based batching, which accumulates tokens in host memory and dynamically launches large batches on GPUs to maximize utilization. Additionally, we optimize the choice of batch sizes for each module in an MoE to fully overlap GPU computation and communication, maximizing throughput. Evaluation demonstrates that MoE-Gen achieves 8-31x higher throughput compared to state-of-the-art systems employing model-based batching (FlexGen, MoE-Lightning, DeepSpeed), and offers even greater throughput improvements over continuous batching systems (e.g., vLLM and Ollama) on popular MoE models (DeepSeek and Mixtral) across offline inference tasks. MoE-Gen's source code is publicly available at https://github.com/EfficientMoE/MoE-Gen

Each LLM serving request goes through two phases. The first is prefill which processes the entire input prompt to produce one output token and the second is decode which generates the rest of output tokens, one-at-a-time. Prefill iterations have high latency but saturate GPU compute due to parallel processing of the input prompt. In contrast, decode iterations have low latency but also low compute utilization because a decode iteration processes only a single token per request. This makes batching highly effective for decodes and consequently for overall throughput. However, batching multiple requests leads to an interleaving of prefill and decode iterations which makes it challenging to achieve both high throughput and low latency. We introduce an efficient LLM inference scheduler Sarathi-Serve inspired by the techniques we originally proposed for optimizing throughput in Sarathi. Sarathi-Serve leverages chunked-prefills from Sarathi to create stall-free schedules that can add new requests in a batch without pausing ongoing decodes. Stall-free scheduling unlocks the opportunity to improve throughput with large batch sizes while minimizing the effect of batching on latency. Our evaluation shows that Sarathi-Serve improves serving throughput within desired latency SLOs of Mistral-7B by up to 2.6x on a single A100 GPU and up to 6.9x for Falcon-180B on 8 A100 GPUs over Orca and vLLM.

Efficiently training large language models requires parallelizing across hundreds of hardware accelerators and invoking various compute and memory optimizations. When combined, many of these strategies have complex interactions regarding the final training efficiency. Prior work tackling this problem did not have access to the latest set of optimizations, such as FlashAttention or sequence parallelism. In this work, we conduct a comprehensive ablation study of possible training configurations for large language models. We distill this large study into several key recommendations for the most efficient training. For instance, we find that using a micro-batch size of 1 usually enables the most efficient training layouts. Larger micro-batch sizes necessitate activation checkpointing or higher degrees of model parallelism and also lead to larger pipeline bubbles. Our most efficient configurations enable us to achieve state-of-the-art training efficiency results over a range of model sizes, most notably a Model FLOPs utilization of 70.5% when training a Llama 13B model.

We say an algorithm is batch size-invariant if changes to the batch size can largely be compensated for by changes to other hyperparameters. Stochastic gradient descent is well-known to have this property at small batch sizes, via the learning rate. However, some policy optimization algorithms (such as PPO) do not have this property, because of how they control the size of policy updates. In this work we show how to make these algorithms batch size-invariant. Our key insight is to decouple the proximal policy (used for controlling policy updates) from the behavior policy (used for off-policy corrections). Our experiments help explain why these algorithms work, and additionally show how they can make more efficient use of stale data.

Large-scale robot learning has recently shown promise for enabling robots to perform complex tasks by integrating perception, control, and language understanding. Yet, it struggles with long-horizon, contact-rich manipulation such as deformable object handling, where demonstration quality is inconsistent. Reward modeling offers a natural solution: by providing grounded progress signals, it transforms noisy demonstrations into stable supervision that generalizes across diverse trajectories. We introduce a stage-aware, video-based reward modeling framework that jointly predicts high-level task stages and fine-grained progress. Reward labels are automatically derived from natural language subtask annotations, ensuring consistent progress estimation across variable-length demonstrations. This design overcomes frame-index labeling, which fails in variable-duration tasks like folding a T-shirt. Our reward model demonstrates robustness to variability, generalization to out-of-distribution settings, and strong utility for policy training. Building on it, we propose Reward-Aligned Behavior Cloning (RA-BC), which filters high-quality data and reweights samples by reward. Experiments show the reward model alone outperforms baselines on validation and real robot rollouts. Integrated into RA-BC, our approach achieves 83% success on folding T-shirts from the flattened state and 67% from the crumpled state -- far surpassing vanilla behavior cloning, which attains only 8% and 0% success. Overall, our results highlight reward modeling as a key enabler for scalable, annotation-efficient, and robust imitation learning in long-horizon manipulation.

In molecular dynamics (MD) simulations, rare events, such as protein folding, are typically studied by means of enhanced sampling techniques, most of which rely on the definition of a collective variable (CV) along which the acceleration occurs. Obtaining an expressive CV is crucial, but often hindered by the lack of information about the particular event, e.g., the transition from unfolded to folded conformation. We propose a simulation-free data augmentation strategy using physics-inspired metrics to generate geodesic interpolations resembling protein folding transitions, thereby improving sampling efficiency without true transition state samples. Leveraging interpolation progress parameters, we introduce a regression-based learning scheme for CV models, which outperforms classifier-based methods when transition state data is limited and noisy

As inference on Large Language Models (LLMs) emerges as an important workload in machine learning applications, weight quantization has become a standard technique for efficient GPU deployment. Quantization not only reduces model size, but has also been shown to yield substantial speedups for single-user inference, due to reduced memory movement, with low accuracy impact. Yet, it remains open whether speedups are achievable also in batched settings with multiple parallel clients, which are highly relevant for practical serving. It is unclear whether GPU kernels can be designed to remain practically memory-bound, while supporting the substantially increased compute requirements of batched workloads. This paper resolves this question positively by describing the design of Mixed-precision Auto-Regressive LINear kernels, called MARLIN. Concretely, given a model whose weights are compressed via quantization to, e.g., 4 bits per element, MARLIN shows that batchsizes up to 16-32 can be supported with close to maximum (4times) quantization speedup, and larger batchsizes up to 64-128 with gradually decreasing, but still significant, acceleration. MARLIN accomplishes this via a combination of techniques, such as asynchronous memory access, complex task scheduling and pipelining, and bespoke quantization support. Our experiments show that MARLIN's near-optimal performance on individual LLM layers across different scenarios can also lead to end-to-end LLM inference speedups (of up to 2.8times) when integrated with the popular vLLM serving engine. Finally, MARLIN is extensible to further compression techniques, like NVIDIA 2:4 sparsity, leading to additional speedups.

Discrete diffusion models have emerged as strong alternatives to autoregressive language models, with recent work initializing and fine-tuning a base unimodal model for bimodal generation. Diverging from previous approaches, we introduce the first tri-modal masked diffusion model pretrained from scratch on text, image-text, and audio-text data. We systematically analyze multimodal scaling laws, modality mixing ratios, noise schedules, and batch-size effects, and we provide optimized inference sampling defaults. Our batch-size analysis yields a novel stochastic differential equation (SDE)-based reparameterization that eliminates the need for tuning the optimal batch size as reported in recent work. This reparameterization decouples the physical batch size, often chosen based on compute constraints (GPU saturation, FLOP efficiency, wall-clock time), from the logical batch size, chosen to balance gradient variance during stochastic optimization. Finally, we pretrain a preliminary 3B-parameter tri-modal model on 6.4T tokens, demonstrating the capabilities of a unified design and achieving strong results in text generation, text-to-image tasks, and text-to-speech tasks. Our work represents the largest-scale systematic open study of multimodal discrete diffusion models conducted to date, providing insights into scaling behaviors across multiple modalities.

Autoregressive large language models (LLMs) have made remarkable progress in various natural language generation tasks. However, they incur high computation cost and latency resulting from the autoregressive token-by-token generation. To address this issue, several approaches have been proposed to reduce computational cost using early-exit strategies. These strategies enable faster text generation using reduced computation without applying the full computation graph to each token. While existing token-level early exit methods show promising results for online inference, they cannot be readily applied for batch inferencing and Key-Value caching. This is because they have to wait until the last token in a batch exits before they can stop computing. This severely limits the practical application of such techniques. In this paper, we propose a simple and effective token-level early exit method, SkipDecode, designed to work seamlessly with batch inferencing and KV caching. It overcomes prior constraints by setting up a singular exit point for every token in a batch at each sequence position. It also guarantees a monotonic decrease in exit points, thereby eliminating the need to recompute KV Caches for preceding tokens. Rather than terminating computation prematurely as in prior works, our approach bypasses lower to middle layers, devoting most of the computational resources to upper layers, allowing later tokens to benefit from the compute expenditure by earlier tokens. Our experimental results show that SkipDecode can obtain 2x to 5x inference speedups with negligible regression across a variety of tasks. This is achieved using OPT models of 1.3 billion and 6.7 billion parameters, all the while being directly compatible with batching and KV caching optimization techniques.

We present FOLD-SE, an efficient, explainable machine learning algorithm for classification tasks given tabular data containing numerical and categorical values. FOLD-SE generates a set of default rules-essentially a stratified normal logic program-as an (explainable) trained model. Explainability provided by FOLD-SE is scalable, meaning that regardless of the size of the dataset, the number of learned rules and learned literals stay quite small while good accuracy in classification is maintained. A model with smaller number of rules and literals is easier to understand for human beings. FOLD-SE is competitive with state-of-the-art machine learning algorithms such as XGBoost and Multi-Layer Perceptrons (MLP) wrt accuracy of prediction. However, unlike XGBoost and MLP, the FOLD-SE algorithm is explainable. The FOLD-SE algorithm builds upon our earlier work on developing the explainable FOLD-R++ machine learning algorithm for binary classification and inherits all of its positive features. Thus, pre-processing of the dataset, using techniques such as one-hot encoding, is not needed. Like FOLD-R++, FOLD-SE uses prefix sum to speed up computations resulting in FOLD-SE being an order of magnitude faster than XGBoost and MLP in execution speed. The FOLD-SE algorithm outperforms FOLD-R++ as well as other rule-learning algorithms such as RIPPER in efficiency, performance and scalability, especially for large datasets. A major reason for scalable explainability of FOLD-SE is the use of a literal selection heuristics based on Gini Impurity, as opposed to Information Gain used in FOLD-R++. A multi-category classification version of FOLD-SE is also presented.

We examine a simple stochastic strategy for adapting well-known single-point acquisition functions to allow batch active learning. Unlike acquiring the top-K points from the pool set, score- or rank-based sampling takes into account that acquisition scores change as new data are acquired. This simple strategy for adapting standard single-sample acquisition strategies can even perform just as well as compute-intensive state-of-the-art batch acquisition functions, like BatchBALD or BADGE, while using orders of magnitude less compute. In addition to providing a practical option for machine learning practitioners, the surprising success of the proposed method in a wide range of experimental settings raises a difficult question for the field: when are these expensive batch acquisition methods pulling their weight?

We uncover how SGD interacts with batch normalization and can exhibit undesirable training dynamics such as divergence. More precisely, we study how Single Shuffle (SS) and Random Reshuffle (RR) -- two widely used variants of SGD -- interact surprisingly differently in the presence of batch normalization: RR leads to much more stable evolution of training loss than SS. As a concrete example, for regression using a linear network with batch normalization, we prove that SS and RR converge to distinct global optima that are "distorted" away from gradient descent. Thereafter, for classification we characterize conditions under which training divergence for SS and RR can, and cannot occur. We present explicit constructions to show how SS leads to distorted optima in regression and divergence for classification, whereas RR avoids both distortion and divergence. We validate our results by confirming them empirically in realistic settings, and conclude that the separation between SS and RR used with batch normalization is relevant in practice.

The demand for deploying large language models(LLMs) on mobile devices continues to increase, driven by escalating data security concerns and cloud costs. However, network bandwidth and memory limitations pose challenges for deploying billion-level models on mobile devices. In this study, we investigate the outputs of different layers across various scales of LLMs and found that the outputs of most layers exhibit significant similarity. Moreover, this similarity becomes more pronounced as the model size increases, indicating substantial redundancy in the depth direction of the LLMs. Based on this observation, we propose an efficient model volume compression strategy, termed FoldGPT, which combines block removal and block parameter sharing.This strategy consists of three parts: (1) Based on the learnable gating parameters, we determine the block importance ranking while modeling the coupling effect between blocks. Then we delete some redundant layers based on the given removal rate. (2) For the retained blocks, we apply a specially designed group parameter sharing strategy, where blocks within the same group share identical weights, significantly compressing the number of parameters and slightly reducing latency overhead. (3) After sharing these Blocks, we "cure" the mismatch caused by sparsity with a minor amount of fine-tuning and introduce a tail-layer distillation strategy to improve the performance. Experiments demonstrate that FoldGPT outperforms previous state-of-the-art(SOTA) methods in efficient model compression, demonstrating the feasibility of achieving model lightweighting through straightforward block removal and parameter sharing.

Training large neural networks is known to be time-consuming, with the learning duration taking days or even weeks. To address this problem, large-batch optimization was introduced. This approach demonstrated that scaling mini-batch sizes with appropriate learning rate adjustments can speed up the training process by orders of magnitude. While long training time was not typically a major issue for model-free deep offline RL algorithms, recently introduced Q-ensemble methods achieving state-of-the-art performance made this issue more relevant, notably extending the training duration. In this work, we demonstrate how this class of methods can benefit from large-batch optimization, which is commonly overlooked by the deep offline RL community. We show that scaling the mini-batch size and naively adjusting the learning rate allows for (1) a reduced size of the Q-ensemble, (2) stronger penalization of out-of-distribution actions, and (3) improved convergence time, effectively shortening training duration by 3-4x times on average.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

AlphaFold2 has been hailed as a breakthrough in protein folding. It can rapidly predict protein structures with lab-grade accuracy. However, its implementation does not include the necessary training code. OpenFold is the first trainable public reimplementation of AlphaFold. AlphaFold training procedure is prohibitively time-consuming, and gets diminishing benefits from scaling to more compute resources. In this work, we conducted a comprehensive analysis on the AlphaFold training procedure based on Openfold, identified that inefficient communications and overhead-dominated computations were the key factors that prevented the AlphaFold training from effective scaling. We introduced ScaleFold, a systematic training method that incorporated optimizations specifically for these factors. ScaleFold successfully scaled the AlphaFold training to 2080 NVIDIA H100 GPUs with high resource utilization. In the MLPerf HPC v3.0 benchmark, ScaleFold finished the OpenFold benchmark in 7.51 minutes, shown over 6times speedup than the baseline. For training the AlphaFold model from scratch, ScaleFold completed the pretraining in 10 hours, a significant improvement over the seven days required by the original AlphaFold pretraining baseline.

LAPS identifies and disaggregates requests with different prompt lengths in LLM serving to reduce TTFT latency. While recent systems have decoupled the prefill and decode stages to improve throughput, they still rely on unified scheduling policies that fail to adapt to heterogeneous workload characteristics. We observe that prompt-length variations lead to distinct performance bottlenecks, motivating an adaptive scheduling strategy. LAPS disaggregates multi-turn long-prefill requests from short-prefill ones and introduces a length-aware smart batching mechanism for short-prefill workloads. It adopts a dual-queue design that supports temporal disaggregation on a single prefill instance or spatial disaggregation across multiple instances. For short-prefill batches, a batch waiting window and CUDA Graph-based clustering mitigate interference from heterogeneous computation, reducing batching delay and lowering average latency. In real multi-turn workloads, LAPS reduces prefill latency by over 30\% compared to vanilla SGLang under prefill-decode disaggregation, and further decreases SLO violations by 28\% in multi-instance deployments with vanilla data-parallel configuration. Compared to the SGLang router with load balancing, it further lowers SLO violations by 12\% in multi-GPU settings. Under high concurrency and mixed-request scenarios, LAPS improves request throughput by 35\% serving Qwen2.5-32B model for prefill instance, demonstrating its effectiveness in optimizing heterogeneous LLM serving workloads.

In this work, we present EchoGen, a unified framework for layout-to-image generation and image grounding, capable of generating images with accurate layouts and high fidelity to text descriptions (e.g., spatial relationships), while grounding the image robustly at the same time. We believe that image grounding possesses strong text and layout understanding abilities, which can compensate for the corresponding limitations in layout-to-image generation. At the same time, images generated from layouts exhibit high diversity in content, thereby enhancing the robustness of image grounding. Jointly training both tasks within a unified model can promote performance improvements for each. However, we identify that this joint training paradigm encounters several optimization challenges and results in restricted performance. To address these issues, we propose progressive training strategies. First, the Parallel Multi-Task Pre-training (PMTP) stage equips the model with basic abilities for both tasks, leveraging shared tokens to accelerate training. Next, the Dual Joint Optimization (DJO) stage exploits task duality to sequentially integrate the two tasks, enabling unified optimization. Finally, the Cycle RL stage eliminates reliance on visual supervision by using consistency constraints as rewards, significantly enhancing the model's unified capabilities via the GRPO strategy. Extensive experiments demonstrate state-of-the-art results on both layout-to-image generation and image grounding benchmarks, and reveal clear synergistic gains from optimizing the two tasks together.

How can we design protein sequences folding into the desired structures effectively and efficiently? AI methods for structure-based protein design have attracted increasing attention in recent years; however, few methods can simultaneously improve the accuracy and efficiency due to the lack of expressive features and autoregressive sequence decoder. To address these issues, we propose PiFold, which contains a novel residue featurizer and PiGNN layers to generate protein sequences in a one-shot way with improved recovery. Experiments show that PiFold could achieve 51.66\% recovery on CATH 4.2, while the inference speed is 70 times faster than the autoregressive competitors. In addition, PiFold achieves 58.72\% and 60.42\% recovery scores on TS50 and TS500, respectively. We conduct comprehensive ablation studies to reveal the role of different types of protein features and model designs, inspiring further simplification and improvement. The PyTorch code is available at https://github.com/A4Bio/PiFold{GitHub}.

We revisit the well-studied problem of approximating a matrix product, A^TB, based on small space sketches S(A) and S(B) of A in R^{n times d} and Bin R^{n times m}. We are interested in the setting where the sketches must be computed independently of each other, except for the use of a shared random seed. We prove that, when A and B are sparse, methods based on coordinated random sampling can outperform classical linear sketching approaches, like Johnson-Lindenstrauss Projection or CountSketch. For example, to obtain Frobenius norm error epsilon|A|_F|B|_F, coordinated sampling requires sketches of size O(s/epsilon^2) when A and B have at most s leq d,m non-zeros per row. In contrast, linear sketching leads to sketches of size O(d/epsilon^2) and O(m/epsilon^2) for A and B. We empirically evaluate our approach on two applications: 1) distributed linear regression in databases, a problem motivated by tasks like dataset discovery and augmentation, and 2) approximating attention matrices in transformer-based language models. In both cases, our sampling algorithms yield an order of magnitude improvement over linear sketching.

Creating graphic layouts is a fundamental step in graphic designs. In this work, we present a novel generative model named LayoutDiffusion for automatic layout generation. As layout is typically represented as a sequence of discrete tokens, LayoutDiffusion models layout generation as a discrete denoising diffusion process. It learns to reverse a mild forward process, in which layouts become increasingly chaotic with the growth of forward steps and layouts in the neighboring steps do not differ too much. Designing such a mild forward process is however very challenging as layout has both categorical attributes and ordinal attributes. To tackle the challenge, we summarize three critical factors for achieving a mild forward process for the layout, i.e., legality, coordinate proximity and type disruption. Based on the factors, we propose a block-wise transition matrix coupled with a piece-wise linear noise schedule. Experiments on RICO and PubLayNet datasets show that LayoutDiffusion outperforms state-of-the-art approaches significantly. Moreover, it enables two conditional layout generation tasks in a plug-and-play manner without re-training and achieves better performance than existing methods.

In training neural networks, it is common practice to use partial gradients computed over batches, mostly very small subsets of the training set. This approach is motivated by the argument that such a partial gradient is close to the true one, with precision growing only with the square root of the batch size. A theoretical justification is with the help of stochastic approximation theory. However, the conditions for the validity of this theory are not satisfied in the usual learning rate schedules. Batch processing is also difficult to combine with efficient second-order optimization methods. This proposal is based on another hypothesis: the loss minimum of the training set can be expected to be well-approximated by the minima of its subsets. Such subset minima can be computed in a fraction of the time necessary for optimizing over the whole training set. This hypothesis has been tested with the help of the MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks, optionally extended by training data augmentation. The experiments have confirmed that results equivalent to conventional training can be reached. In summary, even small subsets are representative if the overdetermination ratio for the given model parameter set sufficiently exceeds unity. The computing expense can be reduced to a tenth or less.

Padding is often used in tuning LLM models by adding special tokens to shorter training examples to match the length of the longest sequence in each batch. While this ensures uniformity for batch processing, it introduces inefficiencies by including irrelevant padding tokens in the computation and wastes GPU resources. On the other hand, the Hugging Face SFT trainer offers the option to use packing to combine multiple training examples up to the maximum sequence length. This allows for maximal utilization of GPU resources. However, without proper masking of each packed training example, attention will not be computed correctly when using SFT trainer. We enable and then analyse packing and Flash Attention with proper attention masking of each example and show the benefits of this training paradigm.

Flow matching is a powerful framework for generating high-quality samples in various applications, especially image synthesis. However, the intensive computational demands of these models, especially during the fine-tuning process and sampling processes, pose significant challenges for low-resource scenarios. This paper introduces Bellman Optimal Step-size Straightening (BOSS) technique for distilling flow-matching generative models: it aims specifically for a few-step efficient image sampling while adhering to a computational budget constraint. First, this technique involves a dynamic programming algorithm that optimizes the step sizes of the pretrained network. Then, it refines the velocity network to match the optimal step sizes, aiming to straighten the generation paths. Extensive experimental evaluations across image generation tasks demonstrate the efficacy of BOSS in terms of both resource utilization and image quality. Our results reveal that BOSS achieves substantial gains in efficiency while maintaining competitive sample quality, effectively bridging the gap between low-resource constraints and the demanding requirements of flow-matching generative models. Our paper also fortifies the responsible development of artificial intelligence, offering a more sustainable generative model that reduces computational costs and environmental footprints. Our code can be found at https://github.com/nguyenngocbaocmt02/BOSS.

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models.

Training a large-scale deep neural network in a large-scale dataset is challenging and time-consuming. The recent breakthrough of large-batch optimization is a promising way to tackle this challenge. However, although the current advanced algorithms such as LARS and LAMB succeed in classification models, the complicated pipelines of dense visual predictions such as object detection and segmentation still suffer from the heavy performance drop in the large-batch training regime. To address this challenge, we propose a simple yet effective algorithm, named Adaptive Gradient Variance Modulator (AGVM), which can train dense visual predictors with very large batch size, enabling several benefits more appealing than prior arts. Firstly, AGVM can align the gradient variances between different modules in the dense visual predictors, such as backbone, feature pyramid network (FPN), detection, and segmentation heads. We show that training with a large batch size can fail with the gradient variances misaligned among them, which is a phenomenon primarily overlooked in previous work. Secondly, AGVM is a plug-and-play module that generalizes well to many different architectures (e.g., CNNs and Transformers) and different tasks (e.g., object detection, instance segmentation, semantic segmentation, and panoptic segmentation). It is also compatible with different optimizers (e.g., SGD and AdamW). Thirdly, a theoretical analysis of AGVM is provided. Extensive experiments on the COCO and ADE20K datasets demonstrate the superiority of AGVM. For example, it can train Faster R-CNN+ResNet50 in 4 minutes without losing performance. AGVM enables training an object detector with one billion parameters in just 3.5 hours, reducing the training time by 20.9x, whilst achieving 62.2 mAP on COCO. The deliverables are released at https://github.com/Sense-X/AGVM.

We present a combined scaling method - named BASIC - that achieves 85.7% top-1 accuracy on the ImageNet ILSVRC-2012 validation set without learning from any labeled ImageNet example. This accuracy surpasses best published similar models - CLIP and ALIGN - by 9.3%. Our BASIC model also shows significant improvements in robustness benchmarks. For instance, on 5 test sets with natural distribution shifts such as ImageNet-{A,R,V2,Sketch} and ObjectNet, our model achieves 84.3% top-1 average accuracy, only a small drop from its original ImageNet accuracy. To achieve these results, we scale up the contrastive learning framework of CLIP and ALIGN in three dimensions: data size, model size, and batch size. Our dataset has 6.6B noisy image-text pairs, which is 4x larger than ALIGN, and 16x larger than CLIP. Our largest model has 3B weights, which is 3.75x larger in parameters and 8x larger in FLOPs than ALIGN and CLIP. Finally, our batch size is 65536 which is 2x more than CLIP and 4x more than ALIGN. We encountered two main challenges with the scaling rules of BASIC. First, the main challenge with implementing the combined scaling rules of BASIC is the limited memory of accelerators, such as GPUs and TPUs. To overcome the memory limit, we propose two simple methods which make use of gradient checkpointing and model parallelism. Second, while increasing the dataset size and the model size has been the defacto method to improve the performance of deep learning models like BASIC, the effect of a large contrastive batch size on such contrastive-trained image-text models is not well-understood. To shed light on the benefits of large contrastive batch sizes, we develop a theoretical framework which shows that larger contrastive batch sizes lead to smaller generalization gaps for image-text models such as BASIC.

Scaling visual generation models is essential for real-world content creation, yet requires substantial training and computational expenses. Alternatively, test-time scaling has garnered growing attention due to resource efficiency and promising performance. In this work, we present TTS-VAR, the first general test-time scaling framework for visual auto-regressive (VAR) models, modeling the generation process as a path searching problem. To dynamically balance computational efficiency with exploration capacity, we first introduce an adaptive descending batch size schedule throughout the causal generation process. Besides, inspired by VAR's hierarchical coarse-to-fine multi-scale generation, our framework integrates two key components: (i) At coarse scales, we observe that generated tokens are hard for evaluation, possibly leading to erroneous acceptance of inferior samples or rejection of superior samples. Noticing that the coarse scales contain sufficient structural information, we propose clustering-based diversity search. It preserves structural variety through semantic feature clustering, enabling later selection on samples with higher potential. (ii) In fine scales, resampling-based potential selection prioritizes promising candidates using potential scores, which are defined as reward functions incorporating multi-scale generation history. Experiments on the powerful VAR model Infinity show a notable 8.7% GenEval score improvement (from 0.69 to 0.75). Key insights reveal that early-stage structural features effectively influence final quality, and resampling efficacy varies across generation scales. Code is available at https://github.com/ali-vilab/TTS-VAR.

Protein folding is the intricate process by which a linear sequence of amino acids self-assembles into a unique three-dimensional structure. Protein folding kinetics is the study of pathways and time-dependent mechanisms a protein undergoes when it folds. Understanding protein kinetics is essential as a protein needs to fold correctly for it to perform its biological functions optimally, and a misfolded protein can sometimes be contorted into shapes that are not ideal for a cellular environment giving rise to many degenerative, neuro-degenerative disorders and amyloid diseases. Monitoring at-risk individuals and detecting protein discrepancies in a protein's folding kinetics at the early stages could majorly result in public health benefits, as preventive measures can be taken. This research proposes an efficient pipeline for predicting protein folding kinetics with high accuracy and low memory footprint. The deployed machine learning (ML) model outperformed the state-of-the-art ML models by 4.8% in terms of accuracy while consuming 327x lesser memory and being 7.3% faster.

Training state-of-the-art, deep neural networks is computationally expensive. One way to reduce the training time is to normalize the activities of the neurons. A recently introduced technique called batch normalization uses the distribution of the summed input to a neuron over a mini-batch of training cases to compute a mean and variance which are then used to normalize the summed input to that neuron on each training case. This significantly reduces the training time in feed-forward neural networks. However, the effect of batch normalization is dependent on the mini-batch size and it is not obvious how to apply it to recurrent neural networks. In this paper, we transpose batch normalization into layer normalization by computing the mean and variance used for normalization from all of the summed inputs to the neurons in a layer on a single training case. Like batch normalization, we also give each neuron its own adaptive bias and gain which are applied after the normalization but before the non-linearity. Unlike batch normalization, layer normalization performs exactly the same computation at training and test times. It is also straightforward to apply to recurrent neural networks by computing the normalization statistics separately at each time step. Layer normalization is very effective at stabilizing the hidden state dynamics in recurrent networks. Empirically, we show that layer normalization can substantially reduce the training time compared with previously published techniques.

We introduce StreamDiffusion, a real-time diffusion pipeline designed for interactive image generation. Existing diffusion models are adept at creating images from text or image prompts, yet they often fall short in real-time interaction. This limitation becomes particularly evident in scenarios involving continuous input, such as Metaverse, live video streaming, and broadcasting, where high throughput is imperative. To address this, we present a novel approach that transforms the original sequential denoising into the batching denoising process. Stream Batch eliminates the conventional wait-and-interact approach and enables fluid and high throughput streams. To handle the frequency disparity between data input and model throughput, we design a novel input-output queue for parallelizing the streaming process. Moreover, the existing diffusion pipeline uses classifier-free guidance(CFG), which requires additional U-Net computation. To mitigate the redundant computations, we propose a novel residual classifier-free guidance (RCFG) algorithm that reduces the number of negative conditional denoising steps to only one or even zero. Besides, we introduce a stochastic similarity filter(SSF) to optimize power consumption. Our Stream Batch achieves around 1.5x speedup compared to the sequential denoising method at different denoising levels. The proposed RCFG leads to speeds up to 2.05x higher than the conventional CFG. Combining the proposed strategies and existing mature acceleration tools makes the image-to-image generation achieve up-to 91.07fps on one RTX4090, improving the throughputs of AutoPipline developed by Diffusers over 59.56x. Furthermore, our proposed StreamDiffusion also significantly reduces the energy consumption by 2.39x on one RTX3060 and 1.99x on one RTX4090, respectively.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure, which leads to their limited ability to account for protein flexibility, one of the crucial properties for protein function. Learning to engineer protein flexibility is problematic because the available data are scarce, heterogeneous, and costly to obtain using computational as well as experimental methods. Our contributions to address this problem are three-fold. First, we comprehensively compare methods for quantifying protein flexibility and identify data relevant to learning. Second, we design and train flexibility predictors utilizing sequential or both sequential and structural information on the input. We overcome the data scarcity issue by leveraging a pre-trained protein language model. Third, we introduce a method for fine-tuning a protein inverse folding model to steer it toward desired flexibility in specified regions. We demonstrate that our method Flexpert-Design enables guidance of inverse folding models toward increased flexibility. This opens up new possibilities for protein flexibility engineering and the development of proteins with enhanced biological activities.

Post training quantization is essential for deploying large language models (LLMs) on resource constrained hardware, yet state of the art methods enforce uniform bit widths across layers, yielding suboptimal accuracy efficiency trade offs. We present RAMP (Reinforcement Adaptive Mixed Precision), an off policy Soft Actor Critic framework that learns per layer bit width assignments to minimize perplexity under a global bit budget. The policy conditions on an 11 dimensional embedding of activation statistics, weight properties, and structural descriptors, enabling zero shot transfer across model families and scales. To enable stable sub 4 bit quantization, we introduce Scale Folding, a preconditioning technique that migrates activation outliers into weights via per channel scaling and normalization layer compensation. A quality prioritized reward with asymmetric penalties and budget cliffs drives rapid convergence. On Llama 2 7B, RAMP achieves 5.54 perplexity at 3.68GB (3.65 effective bits), outperforming uniform 4 bit AWQ (5.60 at 3.90 GB) and GPTQ by 6% in size and 1% to3% in quality. Critically, a policy trained only on Llama 2 7B generalizes zero shot to Llama 2 13B and Mistral 7B, often surpassing target specific training, supporting the hypothesis that quantization sensitivity is primarily architectural. The HALO pipeline exports allocations to GGUF format for kernel free inference on CPUs, GPUs, and edge devices, retaining 99.5% of FP16 commonsense reasoning performance.

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.

In large language model training, input documents are typically concatenated together and then split into sequences of equal length to avoid padding tokens. Despite its efficiency, the concatenation approach compromises data integrity -- it inevitably breaks many documents into incomplete pieces, leading to excessive truncations that hinder the model from learning to compose logically coherent and factually consistent content that is grounded on the complete context. To address the issue, we propose Best-fit Packing, a scalable and efficient method that packs documents into training sequences through length-aware combinatorial optimization. Our method completely eliminates unnecessary truncations while retaining the same training efficiency as concatenation. Empirical results from both text and code pre-training show that our method achieves superior performance (e.g., relatively +4.7% on reading comprehension; +16.8% in context following; and +9.2% on program synthesis), and reduces closed-domain hallucination effectively by up to 58.3%.

We introduce Reprompting, an iterative sampling algorithm that searches for the Chain-of-Thought (CoT) recipes for a given task without human intervention. Through Gibbs sampling, we infer CoT recipes that work consistently well for a set of training samples. Our method iteratively samples new recipes using previously sampled solutions as parent prompts to solve other training problems. On five Big-Bench Hard tasks that require multi-step reasoning, Reprompting achieves consistently better performance than the zero-shot, few-shot, and human-written CoT baselines. Reprompting can also facilitate transfer of knowledge from a stronger model to a weaker model leading to substantially improved performance of the weaker model. Overall, Reprompting brings up to +17 point improvements over the previous state-of-the-art method that uses human-written CoT prompts.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

As large language models (LLMs) evolve to handle increasingly longer contexts, serving inference requests for context lengths in the range of millions of tokens presents unique challenges. While existing techniques are effective for training, they fail to address the unique challenges of inference, such as varying prefill and decode phases and their associated latency constraints - like Time to First Token (TTFT) and Time Between Tokens (TBT). Furthermore, there are no long context inference solutions that allow batching requests to increase the hardware utilization today. In this paper, we propose three key innovations for efficient interactive long context LLM inference, without resorting to any approximation: adaptive chunking to reduce prefill overheads in mixed batching, Sequence Pipeline Parallelism (SPP) to lower TTFT, and KV Cache Parallelism (KVP) to minimize TBT. These contributions are combined into a 3D parallelism strategy, enabling Mnemosyne to scale interactive inference to context lengths at least up to 10 million tokens with high throughput enabled with batching. To our knowledge, Mnemosyne is the first to be able to achieve support for 10 million long context inference efficiently, while satisfying production-grade SLOs on TBT (30ms) on contexts up to and including 10 million.

Recent visual autoregressive (AR) models have shown promising capabilities in text-to-image generation, operating in a manner similar to large language models. While test-time computation scaling has brought remarkable success in enabling reasoning-enhanced outputs for challenging natural language tasks, its adaptation to visual AR models remains unexplored and poses unique challenges. Naively applying test-time scaling strategies such as Best-of-N can be suboptimal: they consume full-length computation on erroneous generation trajectories, while the raster-scan decoding scheme lacks a blueprint of the entire canvas, limiting scaling benefits as only a few prompt-aligned candidates are generated. To address these, we introduce GridAR, a test-time scaling framework designed to elicit the best possible results from visual AR models. GridAR employs a grid-partitioned progressive generation scheme in which multiple partial candidates for the same position are generated within a canvas, infeasible ones are pruned early, and viable ones are fixed as anchors to guide subsequent decoding. Coupled with this, we present a layout-specified prompt reformulation strategy that inspects partial views to infer a feasible layout for satisfying the prompt. The reformulated prompt then guides subsequent image generation to mitigate the blueprint deficiency. Together, GridAR achieves higher-quality results under limited test-time scaling: with N=4, it even outperforms Best-of-N (N=8) by 14.4% on T2I-CompBench++ while reducing cost by 25.6%. It also generalizes to autoregressive image editing, showing comparable edit quality and a 13.9% gain in semantic preservation on PIE-Bench over larger-N baselines.

Effective training of today's large language models (LLMs) depends on large batches and long sequences for throughput and accuracy. To handle variable-length sequences on hardware accelerators, it is common practice to introduce padding tokens, so that all sequences in a batch have the same length. We show in this paper that the variation in sequence lengths in common NLP datasets is such that up to 50% of all tokens can be padding. In less common, but not extreme, cases (e.g. GLUE-cola with sequence length 128), the ratio is up to 89%. Existing methods to address the resulting inefficiency are complicated by the need to avoid cross-contamination in self-attention, by a reduction in accuracy when sequence ordering information is lost, or by customized kernel implementations only valid for specific accelerators. This paper introduces a new formalization of sequence packing in the context of the well-studied bin packing problem, and presents new algorithms based on this formulation which, for example, confer a 2x speedup for phase 2 pre-training in BERT. We show how existing models can be adapted to ensure mathematical equivalence between the original and packed models, meaning that packed models can be trained with existing pre-training and fine-tuning practices.

Batch prompting, which combines a batch of multiple queries sharing the same context in one inference, has emerged as a promising solution to reduce inference costs. However, our study reveals a significant security vulnerability in batch prompting: malicious users can inject attack instructions into a batch, leading to unwanted interference across all queries, which can result in the inclusion of harmful content, such as phishing links, or the disruption of logical reasoning. In this paper, we construct BATCHSAFEBENCH, a comprehensive benchmark comprising 150 attack instructions of two types and 8k batch instances, to study the batch prompting vulnerability systematically. Our evaluation of both closed-source and open-weight LLMs demonstrates that all LLMs are susceptible to batch-prompting attacks. We then explore multiple defending approaches. While the prompting-based defense shows limited effectiveness for smaller LLMs, the probing-based approach achieves about 95% accuracy in detecting attacks. Additionally, we perform a mechanistic analysis to understand the attack and identify attention heads that are responsible for it.

Reinforcement Learning with Verifiable Reward (RLVR) has emerged as a powerful paradigm for unlocking reasoning capabilities in large language models, yet its full potential is hindered by two under-explored dimensions: Depth-the hardest problem a model can sample; Breadth-the number of instances consumed in a single iteration. We dissect the popular GRPO algorithm and reveal a systematic bias: the cumulative-advantage disproportionately weights samples with medium accuracy, while down-weighting the low-accuracy instances that are crucial for pushing reasoning boundaries. To rectify the depth neglect, we introduce Difficulty Adaptive Rollout Sampling (DARS), which re-weights hard problems through targeted multi-stage rollouts, thereby increasing the number of positive rollouts for hard problems. Empirically, naively enlarging rollout size only accelerates convergence and even hurts Pass@K. Our DARS, in contrast, delivers consistent Pass@K gains without extra inference cost at convergence. Just as we adaptively expanded the depth of exploration, we now ask whether aggressively scaling the breadth of training data can further amplify reasoning gains. To this end, we intensely scale batch size and replace PPO's mini-batch iterations with full-batch updates over multiple epochs. Increasing breadth significantly enhances Pass@1 performance. Large-breadth training sustains high token-level entropy, indicating continued exploration and reduced gradient noise. We further present DARS-B, which augments DARS with large breadth, and demonstrate simultaneous gains in Pass@K and Pass@1. The results confirm that breadth and adaptive exploration across depth operate as orthogonal dimensions in RLVR, which are key to unleashing the reasoning power of RLVR.

Recent hardware developments have dramatically increased the scale of data parallelism available for neural network training. Among the simplest ways to harness next-generation hardware is to increase the batch size in standard mini-batch neural network training algorithms. In this work, we aim to experimentally characterize the effects of increasing the batch size on training time, as measured by the number of steps necessary to reach a goal out-of-sample error. We study how this relationship varies with the training algorithm, model, and data set, and find extremely large variation between workloads. Along the way, we show that disagreements in the literature on how batch size affects model quality can largely be explained by differences in metaparameter tuning and compute budgets at different batch sizes. We find no evidence that larger batch sizes degrade out-of-sample performance. Finally, we discuss the implications of our results on efforts to train neural networks much faster in the future. Our experimental data is publicly available as a database of 71,638,836 loss measurements taken over the course of training for 168,160 individual models across 35 workloads.

Finding a suitable layout represents a crucial task for diverse applications in graphic design. Motivated by simpler and smoother sampling trajectories, we explore the use of Flow Matching as an alternative to current diffusion-based layout generation models. Specifically, we propose LayoutFlow, an efficient flow-based model capable of generating high-quality layouts. Instead of progressively denoising the elements of a noisy layout, our method learns to gradually move, or flow, the elements of an initial sample until it reaches its final prediction. In addition, we employ a conditioning scheme that allows us to handle various generation tasks with varying degrees of conditioning with a single model. Empirically, LayoutFlow performs on par with state-of-the-art models while being significantly faster.

Efficient LLM pre-training requires well-tuned hyperparameters (HPs), including learning rate {\eta} and weight decay {\lambda}. We study scaling laws for HPs: formulas for how to scale HPs as we scale model size N, dataset size D, and batch size B. Recent work suggests the AdamW timescale, B/({\eta}{\lambda}D), should remain constant across training settings, and we verify the implication that optimal {\lambda} scales linearly with B, for a fixed N,D. However, as N,D scale, we show the optimal timescale obeys a precise power law in the tokens-per-parameter ratio, D/N. This law thus provides a method to accurately predict {\lambda}opt in advance of large-scale training. We also study scaling laws for optimal batch size Bopt (the B enabling lowest loss at a given N,D) and critical batch size Bcrit (the B beyond which further data parallelism becomes ineffective). In contrast with prior work, we find both Bopt and Bcrit scale as power laws in D, independent of model size, N. Finally, we analyze how these findings inform the real-world selection of Pareto-optimal N and D under dual training time and compute objectives.

Protein inverse folding, the design of an amino acid sequence based on a target 3D structure, is a fundamental problem of computational protein engineering. Existing methods either generate sequences without leveraging external knowledge or relying on protein language models (PLMs). The former omits the evolutionary information stored in protein databases, while the latter is parameter-inefficient and inflexible to adapt to ever-growing protein data. To overcome the above drawbacks, in this paper we propose a novel method, called retrieval-augmented denoising diffusion (RadDiff), for protein inverse folding. Given the target protein backbone, RadDiff uses a hierarchical search strategy to efficiently retrieve structurally similar proteins from large protein databases. The retrieved structures are then aligned residue-by-residue to the target to construct a position-specific amino acid profile, which serves as an evolutionary-informed prior that conditions the denoising process. A lightweight integration module is further designed to incorporate this prior effectively. Experimental results on the CATH, PDB, and TS50 datasets show that RadDiff consistently outperforms existing methods, improving sequence recovery rate by up to 19%. Experimental results also demonstrate that RadDiff generates highly foldable sequences and scales effectively with database size.

Performing inference on hundreds of thousands of samples with large language models (LLMs) can be computationally and financially costly. We propose batch prompting, a simple alternative prompting approach that enables the LLM to run inference in batches, instead of one sample at a time. Our method reduces both token and time costs while retaining downstream performance. We theoretically demonstrate that under a few-shot in-context learning setting, the inference costs decrease almost inverse linearly with the number of samples in each batch. We extensively validate the effectiveness of batch prompting on ten datasets across commonsense QA, arithmetic reasoning, and NLI/NLU: batch prompting significantly~(up to 5times with six samples in batch) reduces the LLM (Codex) inference token and time costs while achieving better or comparable performance. Our analysis shows that the number of samples in each batch and the complexity of tasks affect its performance. Further, batch prompting can be applied across different LLMs and reasoning methods.

Autoregressive models (ARMs) are hindered by slow sequential inference. While masked diffusion models (MDMs) offer a parallel alternative, they suffer from critical drawbacks: high computational overhead from precluding Key-Value (KV) caching, and incoherent generation arising from learning dependencies over an intractable space of token combinations. To address these limitations, we introduce ReFusion, a novel masked diffusion model that achieves superior performance and efficiency by elevating parallel decoding from the token level to a higher slot level, where each slot is a fixed-length, contiguous sub-sequence. This is achieved through an iterative ``plan-and-infill'' decoding process: a diffusion-based planning step first identifies a set of weakly dependent slots, and an autoregressive infilling step then decodes these selected slots in parallel. The slot-based design simultaneously unlocks full KV cache reuse with a unified causal framework and reduces the learning complexity from the token combination space to a manageable slot-level permutation space. Extensive experiments on seven diverse benchmarks show that ReFusion not only overwhelmingly surpasses prior MDMs with 34% performance gains and an over 18times speedup on average, but also bridges the performance gap to strong ARMs while maintaining a 2.33times average speedup.

A wide variety of deep learning techniques from style transfer to multitask learning rely on training affine transformations of features. Most prominent among these is the popular feature normalization technique BatchNorm, which normalizes activations and then subsequently applies a learned affine transform. In this paper, we aim to understand the role and expressive power of affine parameters used to transform features in this way. To isolate the contribution of these parameters from that of the learned features they transform, we investigate the performance achieved when training only these parameters in BatchNorm and freezing all weights at their random initializations. Doing so leads to surprisingly high performance considering the significant limitations that this style of training imposes. For example, sufficiently deep ResNets reach 82% (CIFAR-10) and 32% (ImageNet, top-5) accuracy in this configuration, far higher than when training an equivalent number of randomly chosen parameters elsewhere in the network. BatchNorm achieves this performance in part by naturally learning to disable around a third of the random features. Not only do these results highlight the expressive power of affine parameters in deep learning, but - in a broader sense - they characterize the expressive power of neural networks constructed simply by shifting and rescaling random features.

Text-to-image (T2I) diffusion models have demonstrated impressive image generation capabilities. Still, their computational intensity prohibits resource-constrained organizations from deploying T2I models after fine-tuning them on their internal target data. While pruning techniques offer a potential solution to reduce the computational burden of T2I models, static pruning methods use the same pruned model for all input prompts, overlooking the varying capacity requirements of different prompts. Dynamic pruning addresses this issue by utilizing a separate sub-network for each prompt, but it prevents batch parallelism on GPUs. To overcome these limitations, we introduce Adaptive Prompt-Tailored Pruning (APTP), a novel prompt-based pruning method designed for T2I diffusion models. Central to our approach is a prompt router model, which learns to determine the required capacity for an input text prompt and routes it to an architecture code, given a total desired compute budget for prompts. Each architecture code represents a specialized model tailored to the prompts assigned to it, and the number of codes is a hyperparameter. We train the prompt router and architecture codes using contrastive learning, ensuring that similar prompts are mapped to nearby codes. Further, we employ optimal transport to prevent the codes from collapsing into a single one. We demonstrate APTP's effectiveness by pruning Stable Diffusion (SD) V2.1 using CC3M and COCO as target datasets. APTP outperforms the single-model pruning baselines in terms of FID, CLIP, and CMMD scores. Our analysis of the clusters learned by APTP reveals they are semantically meaningful. We also show that APTP can automatically discover previously empirically found challenging prompts for SD, e.g., prompts for generating text images, assigning them to higher capacity codes.

Constructing prediction sets with coverage guarantees for unobserved outcomes is a core problem in modern statistics. Methods for predictive inference have been developed for a wide range of settings, but usually only consider test data points one at a time. Here we study the problem of distribution-free predictive inference for a batch of multiple test points, aiming to construct prediction sets for functions -- such as the mean or median -- of any number of unobserved test datapoints. This setting includes constructing simultaneous prediction sets with a high probability of coverage, and selecting datapoints satisfying a specified condition while controlling the number of false claims. For the general task of predictive inference on a function of a batch of test points, we introduce a methodology called batch predictive inference (batch PI), and provide a distribution-free coverage guarantee under exchangeability of the calibration and test data. Batch PI requires the quantiles of a rank ordering function defined on certain subsets of ranks. While computing these quantiles is NP-hard in general, we show that it can be done efficiently in many cases of interest, most notably for batch score functions with a compositional structure -- which includes examples of interest such as the mean -- via a dynamic programming algorithm that we develop. Batch PI has advantages over naive approaches (such as partitioning the calibration data or directly extending conformal prediction) in many settings, as it can deliver informative prediction sets even using small calibration sample sizes. We illustrate that our procedures provide informative inference across the use cases mentioned above, through experiments on both simulated data and a drug-target interaction dataset.

The popularity of LLaMA (Touvron et al., 2023a;b) and other recently emerged moderate-sized large language models (LLMs) highlights the potential of building smaller yet powerful LLMs. Regardless, the cost of training such models from scratch on trillions of tokens remains high. In this work, we study structured pruning as an effective means to develop smaller LLMs from pre-trained, larger models. Our approach employs two key techniques: (1) targeted structured pruning, which prunes a larger model to a specified target shape by removing layers, heads, and intermediate and hidden dimensions in an end-to-end manner, and (2) dynamic batch loading, which dynamically updates the composition of sampled data in each training batch based on varying losses across different domains. We demonstrate the efficacy of our approach by presenting the Sheared-LLaMA series, pruning the LLaMA2-7B model down to 1.3B and 2.7B parameters. Sheared-LLaMA models outperform state-of-the-art open-source models of equivalent sizes, such as Pythia, INCITE, and OpenLLaMA models, on a wide range of downstream and instruction tuning evaluations, while requiring only 3% of compute compared to training such models from scratch. This work provides compelling evidence that leveraging existing LLMs with structured pruning is a far more cost-effective approach for building smaller LLMs.

Controllable layout generation aims at synthesizing plausible arrangement of element bounding boxes with optional constraints, such as type or position of a specific element. In this work, we try to solve a broad range of layout generation tasks in a single model that is based on discrete state-space diffusion models. Our model, named LayoutDM, naturally handles the structured layout data in the discrete representation and learns to progressively infer a noiseless layout from the initial input, where we model the layout corruption process by modality-wise discrete diffusion. For conditional generation, we propose to inject layout constraints in the form of masking or logit adjustment during inference. We show in the experiments that our LayoutDM successfully generates high-quality layouts and outperforms both task-specific and task-agnostic baselines on several layout tasks.

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings: valid inference after data peeking requires correcting for multiple testing but such corrections generally result in low power. Following the principle of testing by betting, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings. We exemplify our broad framework using bets inspired by kernelized dependence measures, e.g, the Hilbert-Schmidt independence criterion. Our test is valid under non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

Large language models (LLMs) are expensive to deploy. Parameter sharing offers a possible path towards reducing their size and cost, but its effectiveness in modern LLMs remains fairly limited. In this work, we revisit "layer tying" as form of parameter sharing in Transformers, and introduce novel methods for converting existing LLMs into smaller "Recursive Transformers" that share parameters across layers, with minimal loss of performance. Here, our Recursive Transformers are efficiently initialized from standard pretrained Transformers, but only use a single block of unique layers that is then repeated multiple times in a loop. We further improve performance by introducing Relaxed Recursive Transformers that add flexibility to the layer tying constraint via depth-wise low-rank adaptation (LoRA) modules, yet still preserve the compactness of the overall model. We show that our recursive models (e.g., recursive Gemma 1B) outperform both similar-sized vanilla pretrained models (such as TinyLlama 1.1B and Pythia 1B) and knowledge distillation baselines -- and can even recover most of the performance of the original "full-size" model (e.g., Gemma 2B with no shared parameters). Finally, we propose Continuous Depth-wise Batching, a promising new inference paradigm enabled by the Recursive Transformer when paired with early exiting. In a theoretical analysis, we show that this has the potential to lead to significant (2-3x) gains in inference throughput.

Test-Time Training (TTT) models context dependencies by adapting part of the model's weights (referred to as fast weights) during inference. This fast weight, akin to recurrent states in RNNs, stores temporary memories of past tokens in the current sequence. Existing TTT methods struggled to show effectiveness in handling long-context data, due to their inefficiency on modern GPUs. The TTT layers in many of these approaches operate with extremely low FLOPs utilization (often <5%) because they deliberately apply small online minibatch sizes (e.g., updating fast weights every 16 or 64 tokens). Moreover, a small minibatch implies fine-grained block-wise causal dependencies in the data, unsuitable for data beyond 1D ordered sequences, like sets or N-dimensional grids such as images or videos. In contrast, we pursue the opposite direction by using an extremely large chunk update, ranging from 2K to 1M tokens across tasks of varying modalities, which we refer to as Large Chunk Test-Time Training (LaCT). It improves hardware utilization by orders of magnitude, and more importantly, facilitates scaling of nonlinear state size (up to 40% of model parameters), hence substantially improving state capacity, all without requiring cumbersome and error-prone kernel implementations. It also allows easy integration of sophisticated optimizers, e.g. Muon for online updates. We validate our approach across diverse modalities and tasks, including novel view synthesis with image set, language models, and auto-regressive video diffusion. Our approach can scale up to 14B-parameter AR video diffusion model on sequences up to 56K tokens. In our longest sequence experiment, we perform novel view synthesis with 1 million context length. We hope this work will inspire and accelerate new research in the field of long-context modeling and test-time training. Website: https://tianyuanzhang.com/projects/ttt-done-right

Bootstrap Your Own Latent (BYOL) is a self-supervised learning approach for image representation. From an augmented view of an image, BYOL trains an online network to predict a target network representation of a different augmented view of the same image. Unlike contrastive methods, BYOL does not explicitly use a repulsion term built from negative pairs in its training objective. Yet, it avoids collapse to a trivial, constant representation. Thus, it has recently been hypothesized that batch normalization (BN) is critical to prevent collapse in BYOL. Indeed, BN flows gradients across batch elements, and could leak information about negative views in the batch, which could act as an implicit negative (contrastive) term. However, we experimentally show that replacing BN with a batch-independent normalization scheme (namely, a combination of group normalization and weight standardization) achieves performance comparable to vanilla BYOL (73.9% vs. 74.3% top-1 accuracy under the linear evaluation protocol on ImageNet with ResNet-50). Our finding disproves the hypothesis that the use of batch statistics is a crucial ingredient for BYOL to learn useful representations.

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

The use of deep unfolding networks in compressive sensing (CS) has seen wide success as they provide both simplicity and interpretability. However, since most deep unfolding networks are iterative, this incurs significant redundancies in the network. In this work, we propose a novel recursion-based framework to enhance the efficiency of deep unfolding models. First, recursions are used to effectively eliminate the redundancies in deep unfolding networks. Secondly, we randomize the number of recursions during training to decrease the overall training time. Finally, to effectively utilize the power of recursions, we introduce a learnable unit to modulate the features of the model based on both the total number of iterations and the current iteration index. To evaluate the proposed framework, we apply it to both ISTA-Net+ and COAST. Extensive testing shows that our proposed framework allows the network to cut down as much as 75% of its learnable parameters while mostly maintaining its performance, and at the same time, it cuts around 21% and 42% from the training time for ISTA-Net+ and COAST respectively. Moreover, when presented with a limited training dataset, the recursive models match or even outperform their respective non-recursive baseline. Codes and pretrained models are available at https://github.com/Rawwad-Alhejaili/Recursions-Are-All-You-Need .

As the demand for comprehensive evaluations of diverse model capabilities steadily increases, benchmark suites have correspondingly grown significantly in scale. Despite notable advances in redundancy reduction and subset-level performance prediction, a systematic framework that effectively integrates these methods to ensure both prediction accuracy and ranking consistency is still largely elusive. In this paper, we first perform a sample-level analysis of benchmark redundancy and identify several highly similar samples that can be eliminated. Besides, we frame benchmark compression as an optimization problem with the aim of score reconstruction. Building on these, we then propose EssenceBench, a coarse-to-fine framework utilizing an iterative Genetic Algorithm (GA), which takes the advantages of fitness-based subset search and attribution-based sample search. Compared to previous methods, our approach yields superior compression results with lower reconstruction error and markedly higher efficiency. In particular, on the HellaSwag benchmark (10K samples), our method preserves the ranking of all models shifting within 5% using 25x fewer samples, and achieves 95% ranking preservation shifting within 5% using only 200x fewer samples.

Batch Normalization (BN) has become an out-of-box technique to improve deep network training. However, its effectiveness is limited for micro-batch training, i.e., each GPU typically has only 1-2 images for training, which is inevitable for many computer vision tasks, e.g., object detection and semantic segmentation, constrained by memory consumption. To address this issue, we propose Weight Standardization (WS) and Batch-Channel Normalization (BCN) to bring two success factors of BN into micro-batch training: 1) the smoothing effects on the loss landscape and 2) the ability to avoid harmful elimination singularities along the training trajectory. WS standardizes the weights in convolutional layers to smooth the loss landscape by reducing the Lipschitz constants of the loss and the gradients; BCN combines batch and channel normalizations and leverages estimated statistics of the activations in convolutional layers to keep networks away from elimination singularities. We validate WS and BCN on comprehensive computer vision tasks, including image classification, object detection, instance segmentation, video recognition and semantic segmentation. All experimental results consistently show that WS and BCN improve micro-batch training significantly. Moreover, using WS and BCN with micro-batch training is even able to match or outperform the performances of BN with large-batch training.

To improve the efficiency of distributed large language model (LLM) inference, various parallelization strategies, such as tensor and pipeline parallelism, have been proposed. However, the distinct computational characteristics inherent in the two stages of LLM inference-prefilling and decoding-render a single static parallelization strategy insufficient for the effective optimization of both stages. In this work, we present Seesaw, an LLM inference engine optimized for throughput-oriented tasks. The key idea behind Seesaw is dynamic model re-sharding, a technique that facilitates the dynamic reconfiguration of parallelization strategies across stages, thereby maximizing throughput at both phases. To mitigate re-sharding overhead and optimize computational efficiency, we employ tiered KV cache buffering and transition-minimizing scheduling. These approaches work synergistically to reduce the overhead caused by frequent stage transitions while ensuring maximum batching efficiency. Our evaluation demonstrates that Seesaw achieves a throughput increase of up to 1.78x (1.36x on average) compared to vLLM, the most widely used state-of-the-art LLM inference engine.

Innovations like protein diffusion have enabled significant progress in de novo protein design, which is a vital topic in life science. These methods typically depend on protein structure encoders to model residue backbone frames, where atoms do not exist. Most prior encoders rely on atom-wise features, such as angles and distances between atoms, which are not available in this context. Thus far, only several simple encoders, such as IPA, have been proposed for this scenario, exposing the frame modeling as a bottleneck. In this work, we proffer the Vector Field Network (VFN), which enables network layers to perform learnable vector computations between coordinates of frame-anchored virtual atoms, thus achieving a higher capability for modeling frames. The vector computation operates in a manner similar to a linear layer, with each input channel receiving 3D virtual atom coordinates instead of scalar values. The multiple feature vectors output by the vector computation are then used to update the residue representations and virtual atom coordinates via attention aggregation. Remarkably, VFN also excels in modeling both frames and atoms, as the real atoms can be treated as the virtual atoms for modeling, positioning VFN as a potential universal encoder. In protein diffusion (frame modeling), VFN exhibits an impressive performance advantage over IPA, excelling in terms of both designability (67.04% vs. 53.58%) and diversity (66.54% vs. 51.98%). In inverse folding (frame and atom modeling), VFN outperforms the previous SoTA model, PiFold (54.7% vs. 51.66%), on sequence recovery rate. We also propose a method of equipping VFN with the ESM model, which significantly surpasses the previous ESM-based SoTA (62.67% vs. 55.65%), LM-Design, by a substantial margin.

Bayesian optimisation is a popular, surrogate model-based approach for optimising expensive black-box functions. Given a surrogate model, the next location to expensively evaluate is chosen via maximisation of a cheap-to-query acquisition function. We present an epsilon-greedy procedure for Bayesian optimisation in batch settings in which the black-box function can be evaluated multiple times in parallel. Our epsilon-shotgun algorithm leverages the model's prediction, uncertainty, and the approximated rate of change of the landscape to determine the spread of batch solutions to be distributed around a putative location. The initial target location is selected either in an exploitative fashion on the mean prediction, or -- with probability epsilon -- from elsewhere in the design space. This results in locations that are more densely sampled in regions where the function is changing rapidly and in locations predicted to be good (i.e close to predicted optima), with more scattered samples in regions where the function is flatter and/or of poorer quality. We empirically evaluate the epsilon-shotgun methods on a range of synthetic functions and two real-world problems, finding that they perform at least as well as state-of-the-art batch methods and in many cases exceed their performance.

High-throughput screening techniques are commonly used to obtain large quantities of data in many fields of biology. It is well known that artifacts arising from variability in the technical execution of different experimental batches within such screens confound these observations and can lead to invalid biological conclusions. It is therefore necessary to account for these batch effects when analyzing outcomes. In this paper we describe RxRx1, a biological dataset designed specifically for the systematic study of batch effect correction methods. The dataset consists of 125,510 high-resolution fluorescence microscopy images of human cells under 1,138 genetic perturbations in 51 experimental batches across 4 cell types. Visual inspection of the images alone clearly demonstrates significant batch effects. We propose a classification task designed to evaluate the effectiveness of experimental batch correction methods on these images and examine the performance of a number of correction methods on this task. Our goal in releasing RxRx1 is to encourage the development of effective experimental batch correction methods that generalize well to unseen experimental batches. The dataset can be downloaded at https://rxrx.ai.

Diffusion models excel in high-quality generation but suffer from slow inference due to iterative sampling. While recent methods have successfully transformed diffusion models into one-step generators, they neglect model size reduction, limiting their applicability in compute-constrained scenarios. This paper aims to develop small, efficient one-step diffusion models based on the powerful rectified flow framework, by exploring joint compression of inference steps and model size. The rectified flow framework trains one-step generative models using two operations, reflow and distillation. Compared with the original framework, squeezing the model size brings two new challenges: (1) the initialization mismatch between large teachers and small students during reflow; (2) the underperformance of naive distillation on small student models. To overcome these issues, we propose Annealing Reflow and Flow-Guided Distillation, which together comprise our SlimFlow framework. With our novel framework, we train a one-step diffusion model with an FID of 5.02 and 15.7M parameters, outperforming the previous state-of-the-art one-step diffusion model (FID=6.47, 19.4M parameters) on CIFAR10. On ImageNet 64times64 and FFHQ 64times64, our method yields small one-step diffusion models that are comparable to larger models, showcasing the effectiveness of our method in creating compact, efficient one-step diffusion models.

Unsupervised representation learning with contrastive learning achieved great success. This line of methods duplicate each training batch to construct contrastive pairs, making each training batch and its augmented version forwarded simultaneously and leading to additional computation. We propose a new jigsaw clustering pretext task in this paper, which only needs to forward each training batch itself, and reduces the training cost. Our method makes use of information from both intra- and inter-images, and outperforms previous single-batch based ones by a large margin. It is even comparable to the contrastive learning methods when only half of training batches are used. Our method indicates that multiple batches during training are not necessary, and opens the door for future research of single-batch unsupervised methods. Our models trained on ImageNet datasets achieve state-of-the-art results with linear classification, outperforming previous single-batch methods by 2.6%. Models transferred to COCO datasets outperform MoCo v2 by 0.4% with only half of the training batches. Our pretrained models outperform supervised ImageNet pretrained models on CIFAR-10 and CIFAR-100 datasets by 0.9% and 4.1% respectively. Code is available at https://github.com/Jia-Research-Lab/JigsawClustering

Transformer achieves promising results on various tasks. However, self-attention suffers from quadratic memory requirements with respect to the sequence length. Existing work focuses on reducing time and space complexity from an algorithm perspective. In this work, we propose sequence parallelism, a memory-efficient parallelism method to help us break input sequence length limitation and train with longer sequences on GPUs efficiently. Our approach is compatible with most existing parallelisms (e.g. data parallelism, pipeline parallelism and tensor parallelism), which means our sequence parallelism makes 4D parallelism possible. More importantly, we no longer require a single device to hold the whole sequence. That is, with sparse attention, our sequence parallelism enables us to train transformer with infinite long sequence. Specifically, we split the input sequence into multiple chunks and feed each chunk into its corresponding device (i.e. GPU). To compute the attention output, we integrated ring-style communication with self-attention calculation and proposed Ring Self-Attention (RSA). Experiments show that sequence parallelism performs well when scaling with batch size and sequence length. Compared with tensor parallelism, our approach achieved 13.7times and 3.0times maximum batch size and sequence length respectively when scaling up to 64 NVIDIA P100 GPUs. With sparse attention, sequence can handle sequence with over 114K tokens, which is over 27times longer than existing sparse attention works holding the whole sequence on a single device.

Diffusion models have shown impressive performance in many visual generation and manipulation tasks. Many existing methods focus on training a model for a specific task, especially, text-to-video (T2V) generation, while many other works focus on finetuning the pretrained T2V model for image-to-video (I2V), video-to-video (V2V), image and video manipulation tasks, etc. However, training a strong T2V foundation model requires a large amount of high-quality annotations, which is very costly. In addition, many existing models can perform only one or several tasks. In this work, we introduce a unified framework, namely many-for-many, which leverages the available training data from many different visual generation and manipulation tasks to train a single model for those different tasks. Specifically, we design a lightweight adapter to unify the different conditions in different tasks, then employ a joint image-video learning strategy to progressively train the model from scratch. Our joint learning leads to a unified visual generation and manipulation model with improved video generation performance. In addition, we introduce depth maps as a condition to help our model better perceive the 3D space in visual generation. Two versions of our model are trained with different model sizes (8B and 2B), each of which can perform more than 10 different tasks. In particular, our 8B model demonstrates highly competitive performance in video generation tasks compared to open-source and even commercial engines. Our models and source codes are available at https://github.com/leeruibin/MfM.git.

Despite recent advances in inversion-based editing, text-guided image manipulation remains challenging for diffusion models. The primary bottlenecks include 1) the time-consuming nature of the inversion process; 2) the struggle to balance consistency with accuracy; 3) the lack of compatibility with efficient consistency sampling methods used in consistency models. To address the above issues, we start by asking ourselves if the inversion process can be eliminated for editing. We show that when the initial sample is known, a special variance schedule reduces the denoising step to the same form as the multi-step consistency sampling. We name this Denoising Diffusion Consistent Model (DDCM), and note that it implies a virtual inversion strategy without explicit inversion in sampling. We further unify the attention control mechanisms in a tuning-free framework for text-guided editing. Combining them, we present inversion-free editing (InfEdit), which allows for consistent and faithful editing for both rigid and non-rigid semantic changes, catering to intricate modifications without compromising on the image's integrity and explicit inversion. Through extensive experiments, InfEdit shows strong performance in various editing tasks and also maintains a seamless workflow (less than 3 seconds on one single A40), demonstrating the potential for real-time applications. Project Page: https://sled-group.github.io/InfEdit/

Multi-modal Large Language Models (MLLMs) serving systems commonly employ KV-cache compression to reduce memory footprint. However, existing compression methods introduce significant processing overhead and queuing delays, particularly in concurrent serving scenarios. We present FastCache, a novel serving framework that effectively addresses these challenges through two key innovations: (1) a dynamic batching strategy that optimizes request scheduling across prefill, compression, and decode stages, and (2) an efficient KV-cache memory pool mechanism that eliminates memory fragmentation while maintaining high GPU utilization. Our comprehensive experiments on the GQA and MileBench datasets demonstrate that FastCache achieves up to 19.3times reduction in Time-To-First-Token (TTFT) and 12.1times improvement in throughput compared to state-of-the-art baselines. The system maintains stable performance under high-concurrency scenarios (up to 40 req/s) while reducing average memory consumption by 20\%. These results establish FastCache as an efficient solution for real-world LLM serving systems with KV-cache compression.

We propose a diffusion-based approach for Text-to-Image (T2I) generation with interactive 3D layout control. Layout control has been widely studied to alleviate the shortcomings of T2I diffusion models in understanding objects' placement and relationships from text descriptions. Nevertheless, existing approaches for layout control are limited to 2D layouts, require the user to provide a static layout beforehand, and fail to preserve generated images under layout changes. This makes these approaches unsuitable for applications that require 3D object-wise control and iterative refinements, e.g., interior design and complex scene generation. To this end, we leverage the recent advancements in depth-conditioned T2I models and propose a novel approach for interactive 3D layout control. We replace the traditional 2D boxes used in layout control with 3D boxes. Furthermore, we revamp the T2I task as a multi-stage generation process, where at each stage, the user can insert, change, and move an object in 3D while preserving objects from earlier stages. We achieve this through our proposed Dynamic Self-Attention (DSA) module and the consistent 3D object translation strategy. Experiments show that our approach can generate complicated scenes based on 3D layouts, boosting the object generation success rate over the standard depth-conditioned T2I methods by 2x. Moreover, it outperforms other methods in comparison in preserving objects under layout changes. Project Page: https://abdo-eldesokey.github.io/build-a-scene/

We introduce Evolution Guided General Optimization via Low-rank Learning (EGGROLL), an evolution strategies (ES) algorithm designed to scale backprop-free optimization to large population sizes for modern large neural network architectures with billions of parameters. ES is a set of powerful blackbox optimisation methods that can handle non-differentiable or noisy objectives with excellent scaling potential through parallelisation. Na{ï}ve ES becomes prohibitively expensive at scale due to the computational and memory costs associated with generating matrix perturbations EinR^{mtimes n} and the batched matrix multiplications needed to compute per-member forward passes. EGGROLL overcomes these bottlenecks by generating random matrices Ain R^{mtimes r}, Bin R^{ntimes r} with rll min(m,n) to form a low-rank matrix perturbation A B^top that are used in place of the full-rank perturbation E. As the overall update is an average across a population of N workers, this still results in a high-rank update but with significant memory and computation savings, reducing the auxiliary storage from mn to r(m+n) per layer and the cost of a forward pass from O(mn) to O(r(m+n)) when compared to full-rank ES. A theoretical analysis reveals our low-rank update converges to the full-rank update at a fast Oleft(1{r}right) rate. Our experiments show that (1) EGGROLL does not compromise the performance of ES in tabula-rasa RL settings, despite being faster, (2) it is competitive with GRPO as a technique for improving LLM reasoning, and (3) EGGROLL enables stable pre-training of nonlinear recurrent language models that operate purely in integer datatypes.

In deep learning, mini-batch training is commonly used to optimize network parameters. However, the traditional mini-batch method may not learn the under-represented samples and complex patterns in the data, leading to a longer time for generalization. To address this problem, a variant of the traditional algorithm has been proposed, which trains the network focusing on mini-batches with high loss. The study evaluates the effectiveness of the proposed training using various deep neural networks trained on three benchmark datasets (CIFAR-10, CIFAR-100, and STL-10). The deep neural networks used in the study are ResNet-18, ResNet-50, Efficient Net B4, EfficientNetV2-S, and MobilenetV3-S. The experimental results showed that the proposed method can significantly improve the test accuracy and speed up the convergence compared to the traditional mini-batch training method. Furthermore, we introduce a hyper-parameter delta ({\delta}) that decides how many mini-batches are considered for training. Experiments on various values of {\delta} found that the performance of the proposed method for smaller {\delta} values generally results in similar test accuracy and faster generalization. We show that the proposed method generalizes in 26.47% less number of epochs than the traditional mini-batch method in EfficientNet-B4 on STL-10. The proposed method also improves the test top-1 accuracy by 7.26% in ResNet-18 on CIFAR-100.

A common way to speed up training of large convolutional networks is to add computational units. Training is then performed using data-parallel synchronous Stochastic Gradient Descent (SGD) with mini-batch divided between computational units. With an increase in the number of nodes, the batch size grows. But training with large batch size often results in the lower model accuracy. We argue that the current recipe for large batch training (linear learning rate scaling with warm-up) is not general enough and training may diverge. To overcome this optimization difficulties we propose a new training algorithm based on Layer-wise Adaptive Rate Scaling (LARS). Using LARS, we scaled Alexnet up to a batch size of 8K, and Resnet-50 to a batch size of 32K without loss in accuracy.

We study the effect of mini-batching on the loss landscape of deep neural networks using spiked, field-dependent random matrix theory. We demonstrate that the magnitude of the extremal values of the batch Hessian are larger than those of the empirical Hessian. We also derive similar results for the Generalised Gauss-Newton matrix approximation of the Hessian. As a consequence of our theorems we derive an analytical expressions for the maximal learning rates as a function of batch size, informing practical training regimens for both stochastic gradient descent (linear scaling) and adaptive algorithms, such as Adam (square root scaling), for smooth, non-convex deep neural networks. Whilst the linear scaling for stochastic gradient descent has been derived under more restrictive conditions, which we generalise, the square root scaling rule for adaptive optimisers is, to our knowledge, completely novel. %For stochastic second-order methods and adaptive methods, we derive that the minimal damping coefficient is proportional to the ratio of the learning rate to batch size. We validate our claims on the VGG/WideResNet architectures on the CIFAR-100 and ImageNet datasets. Based on our investigations of the sub-sampled Hessian we develop a stochastic Lanczos quadrature based on the fly learning rate and momentum learner, which avoids the need for expensive multiple evaluations for these key hyper-parameters and shows good preliminary results on the Pre-Residual Architecure for CIFAR-100.

Diffusion and flow-matching models achieve remarkable generative performance but at the cost of many sampling steps, this slows inference and limits applicability to time-critical tasks. The ReFlow procedure can accelerate sampling by straightening generation trajectories. However, ReFlow is an iterative procedure, typically requiring training on simulated data, and results in reduced sample quality. To mitigate sample deterioration, we examine the design space of ReFlow and highlight potential pitfalls in prior heuristic practices. We then propose seven improvements for training dynamics, learning and inference, which are verified with thorough ablation studies on CIFAR10 32 times 32, AFHQv2 64 times 64, and FFHQ 64 times 64. Combining all our techniques, we achieve state-of-the-art FID scores (without / with guidance, resp.) for fast generation via neural ODEs: 2.23 / 1.98 on CIFAR10, 2.30 / 1.91 on AFHQv2, 2.84 / 2.67 on FFHQ, and 3.49 / 1.74 on ImageNet-64, all with merely 9 neural function evaluations.

Training language models on long sequence data is a demanding requirement for enhancing the model's capability on complex tasks, e.g., long-chain reasoning. However, as the sequence length scales up, the memory cost for storing activation values becomes huge during the Backpropagation (BP) process, even with the application of gradient checkpointing technique. To tackle this challenge, we propose a memory-efficient and exact BP method called StreamBP, which performs a linear decomposition of the chain rule along the sequence dimension in a layer-wise manner, significantly reducing the memory cost of activation values and logits. The proposed method is applicable to common objectives such as SFT, GRPO, and DPO. From an implementation perspective, StreamBP achieves less computational FLOPs and faster BP speed by leveraging the causal structure of the language model. Compared to gradient checkpointing, StreamBP scales up the maximum sequence length of BP by 2.8-5.5 times larger, while using comparable or even less BP time. Note that StreamBP's sequence length scaling ability can be directly transferred to batch size scaling for accelerating training. We further develop a communication-efficient distributed StreamBP to effectively support multi-GPU training and broaden its applicability. Our code can be easily integrated into the training pipeline of any transformer models and is available at https://github.com/Ledzy/StreamBP.

While diffusion models have revolutionized text-to-image generation with their ability to synthesize realistic and diverse scenes, they continue to struggle to generate consistent and legible text within images. This shortcoming is commonly attributed to the locality bias inherent in diffusion-based generation, which limits their ability to model long-range spatial dependencies. In this paper, we introduce STRICT, a benchmark designed to systematically stress-test the ability of diffusion models to render coherent and instruction-aligned text in images. Our benchmark evaluates models across multiple dimensions: (1) the maximum length of readable text that can be generated; (2) the correctness and legibility of the generated text, and (3) the ratio of not following instructions for generating text. We evaluate several state-of-the-art models, including proprietary and open-source variants, and reveal persistent limitations in long-range consistency and instruction-following capabilities. Our findings provide insights into architectural bottlenecks and motivate future research directions in multimodal generative modeling. We release our entire evaluation pipeline at https://github.com/tianyu-z/STRICT-Bench.