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Aug 14

Data Valuation using Neural Networks for Efficient Instruction Fine-Tuning

Influence functions provide crucial insights into model training, but existing methods suffer from large computational costs and limited generalization. Particularly, recent works have proposed various metrics and algorithms to calculate the influence of data using language models, which do not scale well with large models and datasets. This is because of the expensive forward and backward passes required for computation, substantial memory requirements to store large models, and poor generalization of influence estimates to new data. In this paper, we explore the use of small neural networks -- which we refer to as the InfluenceNetwork -- to estimate influence values, achieving up to 99% cost reduction. Our evaluation demonstrates that influence values can be estimated with models just 0.0027% the size of full language models (we use 7B and 8B versions). We apply our algorithm of estimating influence values (called NN-CIFT: Neural Networks for effiCient Instruction Fine-Tuning) to the downstream task of subset selection for general instruction fine-tuning. In our study, we include four state-of-the-art influence functions and show no compromise in performance, despite large speedups, between NN-CIFT and the original influence functions. We provide an in-depth hyperparameter analyses of NN-CIFT. The code for our method can be found here: https://github.com/agarwalishika/NN-CIFT.

  • 2 authors
·
Feb 14, 2025 2

HALO: Hadamard-Assisted Lossless Optimization for Efficient Low-Precision LLM Training and Fine-Tuning

Quantized training of Large Language Models (LLMs) remains an open challenge, as maintaining accuracy while performing all matrix multiplications in low precision has proven difficult. This is particularly the case when fine-tuning pre-trained models, which often already have large weight and activation outlier values that render quantized optimization difficult. We present HALO, a novel quantization-aware training approach for Transformers that enables accurate and efficient low-precision training by combining 1) strategic placement of Hadamard rotations in both forward and backward passes, to mitigate outliers during the low-precision computation, 2) FSDP integration for low-precision communication, and 3) high-performance kernel support. Our approach ensures that all large matrix multiplications during the forward and backward passes are executed in lower precision. Applied to LLAMA-family models, HALO achieves near-full-precision-equivalent results during fine-tuning on various tasks, while delivering up to 1.31x end-to-end speedup for full fine-tuning on RTX 4090 GPUs. Our method supports both standard and parameter-efficient fine-tuning (PEFT) methods, both backed by efficient kernel implementations. Our results demonstrate the first practical approach to fully quantized LLM fine-tuning that maintains accuracy in FP8 precision, while delivering performance benefits.

  • 6 authors
·
Jan 5, 2025

DataStates-LLM: Scalable Checkpointing for Transformer Models Using Composable State Providers

The rapid growth of Large Transformer-based models, specifically Large Language Models (LLMs), now scaling to trillions of parameters, has necessitated training across thousands of GPUs using complex hybrid parallelism strategies (e.g., data, tensor, and pipeline parallelism). Checkpointing this massive, distributed state is critical for a wide range of use cases, such as resilience, suspend-resume, investigating undesirable training trajectories, and explaining model evolution. However, existing checkpointing solutions typically treat model state as opaque binary blobs, ignoring the ``3D heterogeneity'' of the underlying data structures--varying by memory location (GPU vs. Host), number of ``logical'' objects sharded and split across multiple files, data types (tensors vs. Python objects), and their serialization requirements. This results in significant runtime overheads due to blocking device-to-host transfers, data-oblivious serialization, and storage I/O contention. In this paper, we introduce DataStates-LLM, a novel checkpointing architecture that leverages State Providers to decouple state abstraction from data movement. DataStates-LLM exploits the immutability of model parameters during the forward and backward passes to perform ``lazy'', non-blocking asynchronous snapshots. By introducing State Providers, we efficiently coalesce fragmented, heterogeneous shards and overlap the serialization of metadata with bulk tensor I/O. We evaluate DataStates-LLM on models up to 70B parameters on 256 A100-40GB GPUs. Our results demonstrate that DataStates-LLM achieves up to 4times higher checkpointing throughput and reduces end-to-end training time by up to 2.2times compared to state-of-the-art solutions, effectively mitigating the serialization and heterogeneity bottlenecks in extreme-scale LLM training.

  • 4 authors
·
Jan 22

MatchAttention: Matching the Relative Positions for High-Resolution Cross-View Matching

Cross-view matching is fundamentally achieved through cross-attention mechanisms. However, matching of high-resolution images remains challenging due to the quadratic complexity and lack of explicit matching constraints in the existing cross-attention. This paper proposes an attention mechanism, MatchAttention, that dynamically matches relative positions. The relative position determines the attention sampling center of the key-value pairs given a query. Continuous and differentiable sliding-window attention sampling is achieved by the proposed BilinearSoftmax. The relative positions are iteratively updated through residual connections across layers by embedding them into the feature channels. Since the relative position is exactly the learning target for cross-view matching, an efficient hierarchical cross-view decoder, MatchDecoder, is designed with MatchAttention as its core component. To handle cross-view occlusions, gated cross-MatchAttention and a consistency-constrained loss are proposed. These two components collectively mitigate the impact of occlusions in both forward and backward passes, allowing the model to focus more on learning matching relationships. When applied to stereo matching, MatchStereo-B ranked 1st in average error on the public Middlebury benchmark and requires only 29ms for KITTI-resolution inference. MatchStereo-T can process 4K UHD images in 0.1 seconds using only 3GB of GPU memory. The proposed models also achieve state-of-the-art performance on KITTI 2012, KITTI 2015, ETH3D, and Spring flow datasets. The combination of high accuracy and low computational complexity makes real-time, high-resolution, and high-accuracy cross-view matching possible. Code is available at https://github.com/TingmanYan/MatchAttention.

  • 5 authors
·
Oct 15, 2025

DistZO2: High-Throughput and Memory-Efficient Zeroth-Order Fine-tuning LLMs with Distributed Parallel Computing

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

  • 3 authors
·
Jul 3, 2025

SLA: Beyond Sparsity in Diffusion Transformers via Fine-Tunable Sparse-Linear Attention

In Diffusion Transformer (DiT) models, particularly for video generation, attention latency is a major bottleneck due to the long sequence length and the quadratic complexity. We find that attention weights can be separated into two parts: a small fraction of large weights with high rank and the remaining weights with very low rank. This naturally suggests applying sparse acceleration to the first part and low-rank acceleration to the second. Based on this finding, we propose SLA (Sparse-Linear Attention), a trainable attention method that fuses sparse and linear attention to accelerate diffusion models. SLA classifies attention weights into critical, marginal, and negligible categories, applying O(N^2) attention to critical weights, O(N) attention to marginal weights, and skipping negligible ones. SLA combines these computations into a single GPU kernel and supports both forward and backward passes. With only a few fine-tuning steps using SLA, DiT models achieve a 20x reduction in attention computation, resulting in significant acceleration without loss of generation quality. Experiments show that SLA reduces attention computation by 95% without degrading end-to-end generation quality, outperforming baseline methods. In addition, we implement an efficient GPU kernel for SLA, which yields a 13.7x speedup in attention computation and a 2.2x end-to-end speedup in video generation on Wan2.1-1.3B.

Tsinghua Tsinghua University
·
Sep 28, 2025 4

SonicMoE: Accelerating MoE with IO and Tile-aware Optimizations

Mixture of Experts (MoE) models have emerged as the de facto architecture for scaling up language models without significantly increasing the computational cost. Recent MoE models demonstrate a clear trend towards high expert granularity (smaller expert intermediate dimension) and higher sparsity (constant number of activated experts with higher number of total experts), which improve model quality per FLOP. However, fine-grained MoEs suffer from increased activation memory footprint and reduced hardware efficiency due to higher IO costs, while sparser MoEs suffer from wasted computations due to padding in Grouped GEMM kernels. In response, we propose a memory-efficient algorithm to compute the forward and backward passes of MoEs with minimal activation caching for the backward pass. We also design GPU kernels that overlap memory IO with computation benefiting all MoE architectures. Finally, we propose a novel "token rounding" method that minimizes the wasted compute due to padding in Grouped GEMM kernels. As a result, our method SonicMoE reduces activation memory by 45% and achieves a 1.86x compute throughput improvement on Hopper GPUs compared to ScatterMoE's BF16 MoE kernel for a fine-grained 7B MoE. Concretely, SonicMoE on 64 H100s achieves a training throughput of 213 billion tokens per day comparable to ScatterMoE's 225 billion tokens per day on 96 H100s for a 7B MoE model training with FSDP-2 using the lm-engine codebase. Under high MoE sparsity settings, our tile-aware token rounding algorithm yields an additional 1.16x speedup on kernel execution time compared to vanilla top-K routing while maintaining similar downstream performance. We open-source all our kernels to enable faster MoE model training.

  • 5 authors
·
Dec 15, 2025 3

ReAGent: Towards A Model-agnostic Feature Attribution Method for Generative Language Models

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.

  • 2 authors
·
Feb 1, 2024

MARBLE: Multi-Aspect Reward Balance for Diffusion RL

Reinforcement learning fine-tuning has become the dominant approach for aligning diffusion models with human preferences. However, assessing images is intrinsically a multi-dimensional task, and multiple evaluation criteria need to be optimized simultaneously. Existing practice deal with multiple rewards by training one specialist model per reward, optimizing a weighted-sum reward R(x)=sum_k w_k R_k(x), or sequentially fine-tuning with a hand-crafted stage schedule. These approaches either fail to produce a unified model that can be jointly trained on all rewards or necessitates heavy manually tuned sequential training. We find that the failure stems from using a naive weighted-sum reward aggregation. This approach suffers from a sample-level mismatch because most rollouts are specialist samples, highly informative for certain reward dimensions but irrelevant for others; consequently, weighted summation dilutes their supervision. To address this issue, we propose MARBLE (Multi-Aspect Reward BaLancE), a gradient-space optimization framework that maintains independent advantage estimators for each reward, computes per-reward policy gradients, and harmonizes them into a single update direction without manually-tuned reward weighting, by solving a Quadratic Programming problem. We further propose an amortized formulation that exploits the affine structure of the loss used in DiffusionNFT, to reduce the per-step cost from K+1 backward passes to near single-reward baseline cost, together with EMA smoothing on the balancing coefficients to stabilize updates against transient single-batch fluctuations. On SD3.5 Medium with five rewards, MARBLE improves all five reward dimensions simultaneously, turns the worst-aligned reward's gradient cosine from negative under weighted summation in 80% of mini-batches to consistently positive, and runs at 0.97X the training speed of baseline training.

Pretraining Large Language Models with NVFP4

Large Language Models (LLMs) today are powerful problem solvers across many domains, and they continue to get stronger as they scale in model size, training set size, and training set quality, as shown by extensive research and experimentation across the industry. Training a frontier model today requires on the order of tens to hundreds of yottaflops, which is a massive investment of time, compute, and energy. Improving pretraining efficiency is therefore essential to enable the next generation of even more capable LLMs. While 8-bit floating point (FP8) training is now widely adopted, transitioning to even narrower precision, such as 4-bit floating point (FP4), could unlock additional improvements in computational speed and resource utilization. However, quantization at this level poses challenges to training stability, convergence, and implementation, notably for large-scale models trained on long token horizons. In this study, we introduce a novel approach for stable and accurate training of large language models (LLMs) using the NVFP4 format. Our method integrates Random Hadamard transforms (RHT) to bound block-level outliers, employs a two-dimensional quantization scheme for consistent representations across both the forward and backward passes, utilizes stochastic rounding for unbiased gradient estimation, and incorporates selective high-precision layers. We validate our approach by training a 12-billion-parameter model on 10 trillion tokens -- the longest publicly documented training run in 4-bit precision to date. Our results show that the model trained with our NVFP4-based pretraining technique achieves training loss and downstream task accuracies comparable to an FP8 baseline. These findings highlight that NVFP4, when combined with our training approach, represents a major step forward in narrow-precision LLM training algorithms.

nvidia NVIDIA
·
Sep 29, 2025 2

Trainable Log-linear Sparse Attention for Efficient Diffusion Transformers

Diffusion Transformers (DiTs) set the state of the art in visual generation, yet their quadratic self-attention cost fundamentally limits scaling to long token sequences. Recent Top-K sparse attention approaches reduce the computation of DiTs by compressing tokens into block-wise representation and selecting a small set of relevant key blocks, but still suffer from (i) quadratic selection cost on compressed tokens and (ii) increasing K required to maintain model quality as sequences grow. We identify that their inefficiency is due to the single-level design, as a single coarse level is insufficient to represent the global structure. In this paper, we introduce Log-linear Sparse Attention (LLSA), a trainable sparse attention mechanism for extremely long token sequences that reduces both selection and attention costs from quadratic to log-linear complexity by utilizing a hierarchical structure. LLSA performs hierarchical Top-K selection, progressively adopting sparse Top-K selection with the indices found at the previous level, and introduces a Hierarchical KV Enrichment mechanism that preserves global context while using fewer tokens of different granularity during attention computation. To support efficient training, we develop a high-performance GPU implementation that uses only sparse indices for both the forward and backward passes, eliminating the need for dense attention masks. We evaluate LLSA on high-resolution pixel-space image generation without using patchification and VAE encoding. LLSA accelerates attention inference by 28.27x and DiT training by 6.09x on 256x256 pixel token sequences, while maintaining generation quality. The results demonstrate that LLSA offers a promising direction for training long-sequence DiTs efficiently. Code is available at: https://github.com/SingleZombie/LLSA

DualKV: Shared-Prompt Flash Attention for Efficient RL Training with Large Rollouts and Long Contexts

Modern RL post-training methods such as GRPO and DAPO train on N response sequences of R tokens sampled from a shared prompt of P tokens, but standard FlashAttention replicates all P prompt tokens N times across both forward and backward passes -- duplicating compute and memory on identical hidden states. In large-rollout, long-context RL training (N{geq}16, P{geq}8K), this redundancy dominates the policy update cost. We observe that in decoder-only models, causal masking makes prompt representations invariant across sequences at every layer, so all per-token operations (norms, projections, MLP) and attention can process the prompt once -- a property not yet exploited at the kernel level for training. We propose DualKV, the first FlashAttention kernel variant that eliminates shared-prompt replication during RL training, via (1)~fused CUDA forward and backward kernels that iterate over two disjoint KV regions -- shared context and per-sequence response -- in a single kernel launch, and (2)~a data-pipeline redesign in veRL that repacks N(P{+}R) tokens into P{+}NR tokens per micro-batch, extending the token reduction from attention to the entire model by a factor ρ= N(P{+}R)/(P{+}NR). DualKV is mathematically equivalent to standard attention and introduces no approximation. On Qwen3-8B GRPO training with 8timesH100 GPUs (N{=}32, 8K-context), DualKV achieves 1.63--2.09times policy-update speedup, enables 2times larger micro-batches, and raises MFU from 36% to 76%. Similar gains hold for DAPO (2.47times speedup, 77% MFU). At 30B MoE scale on 16timesH100, DualKV achieves 3.82times policy-update and 3.38times end-to-end step speedup over FlashAttention (which requires 4-way Ulysses sequence parallelism to avoid OOM).

  • 5 authors
·
May 26 1

HiFloat4 Format for End-To-End Reinforcement Learning Post-Training of Large Language Models

We present, to our knowledge, the first end-to-end FP4 RL post-training, in which both the rollout and training policies, including their forward and backward passes, operate at 4-bit precision. A systematic study reveals that the dominant source of degradation in FP4 RL is not training-side quantization error but rollout activation quantization: outliers stretch the dynamic range so far that a large number of activation values underflow to zero under FP4. Counterintuitively, restoring the training policy to higher precision while keeping the rollout in FP4 makes accuracy worse than full FP4 baseline, exposing rollout-training mismatch as the principal failure mode and ruling out standard pretraining-style fixes. We address this with Rollout Residual Quantization (Rollout-ResQ): a single residual correction term constrained to a hardware-friendly sparsity pattern, added only to the FP4 rollout matmul -- a lightweight correction that recovers most of the precision lost to outlier-driven underflow without inflating the rollout's compute footprint. On Qwen2.5-3B and Qwen2.5-Math-7B, Rollout-ResQ paired with the HiFloat4 (HiF4) format -- whose three-level hierarchical scaling preserves resolution under FP4's tight 4-bit budget -- closes the accuracy gap to BF16 from 4.9% to 1.1%, bringing fully quantized FP4 RL within striking distance of full precision. Applied to the open-standard MXFP4, the same recipe narrows the gap from 13.6% to 5.3%, revealing that FP4 format choice is a key factor that determines the ceiling on recoverable accuracy. Together, these results establish HiF4 as the enabling format for end-to-end FP4 RL post-training, and Rollout-ResQ as the activation-side mechanism that makes the gap to BF16 closable.

  • 13 authors
·
Jul 28

Efficiently Training Deep-Learning Parametric Policies using Lagrangian Duality

Constrained Markov Decision Processes (CMDPs) are critical in many high-stakes applications, where decisions must optimize cumulative rewards while strictly adhering to complex nonlinear constraints. In domains such as power systems, finance, supply chains, and precision robotics, violating these constraints can result in significant financial or societal costs. Existing Reinforcement Learning (RL) methods often struggle with sample efficiency and effectiveness in finding feasible policies for highly and strictly constrained CMDPs, limiting their applicability in these environments. Stochastic dual dynamic programming is often used in practice on convex relaxations of the original problem, but they also encounter computational challenges and loss of optimality. This paper introduces a novel approach, Two-Stage Deep Decision Rules (TS-DDR), to efficiently train parametric actor policies using Lagrangian Duality. TS-DDR is a self-supervised learning algorithm that trains general decision rules (parametric policies) using stochastic gradient descent (SGD); its forward passes solve {\em deterministic} optimization problems to find feasible policies, and its backward passes leverage duality theory to train the parametric policy with closed-form gradients. TS-DDR inherits the flexibility and computational performance of deep learning methodologies to solve CMDP problems. Applied to the Long-Term Hydrothermal Dispatch (LTHD) problem using actual power system data from Bolivia, TS-DDR is shown to enhance solution quality and to reduce computation times by several orders of magnitude when compared to current state-of-the-art methods.

  • 4 authors
·
May 23, 2024

Enhancing Group Fairness in Online Settings Using Oblique Decision Forests

Fairness, especially group fairness, is an important consideration in the context of machine learning systems. The most commonly adopted group fairness-enhancing techniques are in-processing methods that rely on a mixture of a fairness objective (e.g., demographic parity) and a task-specific objective (e.g., cross-entropy) during the training process. However, when data arrives in an online fashion -- one instance at a time -- optimizing such fairness objectives poses several challenges. In particular, group fairness objectives are defined using expectations of predictions across different demographic groups. In the online setting, where the algorithm has access to a single instance at a time, estimating the group fairness objective requires additional storage and significantly more computation (e.g., forward/backward passes) than the task-specific objective at every time step. In this paper, we propose Aranyani, an ensemble of oblique decision trees, to make fair decisions in online settings. The hierarchical tree structure of Aranyani enables parameter isolation and allows us to efficiently compute the fairness gradients using aggregate statistics of previous decisions, eliminating the need for additional storage and forward/backward passes. We also present an efficient framework to train Aranyani and theoretically analyze several of its properties. We conduct empirical evaluations on 5 publicly available benchmarks (including vision and language datasets) to show that Aranyani achieves a better accuracy-fairness trade-off compared to baseline approaches.

  • 7 authors
·
Oct 17, 2023

Efficient N:M Sparse DNN Training Using Algorithm, Architecture, and Dataflow Co-Design

Sparse training is one of the promising techniques to reduce the computational cost of DNNs while retaining high accuracy. In particular, N:M fine-grained structured sparsity, where only N out of consecutive M elements can be nonzero, has attracted attention due to its hardware-friendly pattern and capability of achieving a high sparse ratio. However, the potential to accelerate N:M sparse DNN training has not been fully exploited, and there is a lack of efficient hardware supporting N:M sparse training. To tackle these challenges, this paper presents a computation-efficient training scheme for N:M sparse DNNs using algorithm, architecture, and dataflow co-design. At the algorithm level, a bidirectional weight pruning method, dubbed BDWP, is proposed to leverage the N:M sparsity of weights during both forward and backward passes of DNN training, which can significantly reduce the computational cost while maintaining model accuracy. At the architecture level, a sparse accelerator for DNN training, namely SAT, is developed to neatly support both the regular dense operations and the computation-efficient N:M sparse operations. At the dataflow level, multiple optimization methods ranging from interleave mapping, pre-generation of N:M sparse weights, and offline scheduling, are proposed to boost the computational efficiency of SAT. Finally, the effectiveness of our training scheme is evaluated on a Xilinx VCU1525 FPGA card using various DNN models and datasets. Experimental results show the SAT accelerator with the BDWP sparse training method under 2:8 sparse ratio achieves an average speedup of 1.75x over that with the dense training, accompanied by a negligible accuracy loss of 0.56% on average. Furthermore, our proposed training scheme significantly improves the training throughput by 2.97~25.22x and the energy efficiency by 1.36~3.58x over prior FPGA-based accelerators.

  • 4 authors
·
Sep 22, 2023

Elucidating the Design Space of FP4 training

The increasing computational demands of foundation models have spurred research into low-precision training, with 4-bit floating-point (FP4) formats emerging as a frontier for maximizing hardware throughput. While numerous techniques have been proposed to stabilize FP4 training, they often present isolated solutions with varying, and not always clear, computational overheads. This paper aims to provide a unified view of the design space of FP4 training. We introduce a comprehensive, quantisation gradient-based framework for microscaling quantization that allows for a theoretical analysis of the computational costs associated with different stabilization methods on both the forward and backward passes. Using a simulator built on this framework, we conduct an extensive empirical study across a wide range of machine learning tasks, including regression, image classification, diffusion models, and language models. By systematically evaluating thousands of combinations of techniques, such as novel gradient approximations, rounding strategies, and scaling methods, we identify which configurations offer the most favourable performance-to-overhead trade-off. We find that the techniques enabling the best trade-off involve carefully combining Hadamard transformations, tensor scaling and stochastic rounding. We further find that using UE5M3 as a scaling factor potentially offers a good compromise between range and precision with manageable computational overhead.

  • 3 authors
·
Sep 22, 2025

Towards Robust Agentic CUDA Kernel Benchmarking, Verification, and Optimization

Recent advances in large language models (LLMs) demonstrate their effectiveness in scaling test-time compute for software engineering tasks. However, these approaches often focus on high-level solutions, with limited attention to optimizing low-level CUDA kernel implementations. Additionally, existing kernel generation benchmarks suffer from exploitable loopholes and insufficient diversity in testing conditions, hindering true generalization assessment. To address these limitations, we introduce robust-kbench, a new benchmark for rigorous evaluation of kernel performance and correctness across varied scenarios. Furthermore, we present a comprehensive agentic framework that automates CUDA kernel discovery, verification, and optimization. This pipeline enables frontier LLMs to translate torch code to CUDA kernels and iteratively improve their runtime within our robust evaluation setting. Our sequential workflow first translates PyTorch code into equivalent CUDA kernels. It then optimizes their runtime using a novel evolutionary meta-generation procedure tailored to the CUDA ecosystem, guided by LLM-based verifiers for correctness and efficient filtering. Evaluated on robust-kbench, our approach produces CUDA kernels outperforming torch implementations for practical applications, including forward and backward passes. It can fuse operations and deploy various runtime optimization strategies. The verifier workflow accurately classifies incorrect kernels, enhancing hardware verification efficiency.

  • 6 authors
·
Sep 16, 2025

Out-of-Distribution Detection & Applications With Ablated Learned Temperature Energy

As deep neural networks become adopted in high-stakes domains, it is crucial to be able to identify when inference inputs are Out-of-Distribution (OOD) so that users can be alerted of likely drops in performance and calibration despite high confidence. Among many others, existing methods use the following two scores to do so without training on any apriori OOD examples: a learned temperature and an energy score. In this paper we introduce Ablated Learned Temperature Energy (or "AbeT" for short), a method which combines these prior methods in novel ways with effective modifications. Due to these contributions, AbeT lowers the False Positive Rate at 95% True Positive Rate (FPR@95) by 35.39% in classification (averaged across all ID and OOD datasets measured) compared to state of the art without training networks in multiple stages or requiring hyperparameters or test-time backward passes. We additionally provide empirical insights as to how our model learns to distinguish between In-Distribution (ID) and OOD samples while only being explicitly trained on ID samples via exposure to misclassified ID examples at training time. Lastly, we show the efficacy of our method in identifying predicted bounding boxes and pixels corresponding to OOD objects in object detection and semantic segmentation, respectively - with an AUROC increase of 5.15% in object detection and both a decrease in FPR@95 of 41.48% and an increase in AUPRC of 34.20% on average in semantic segmentation compared to previous state of the art.

  • 6 authors
·
Jan 22, 2024

Equilibrium Propagation: Bridging the Gap Between Energy-Based Models and Backpropagation

We introduce Equilibrium Propagation, a learning framework for energy-based models. It involves only one kind of neural computation, performed in both the first phase (when the prediction is made) and the second phase of training (after the target or prediction error is revealed). Although this algorithm computes the gradient of an objective function just like Backpropagation, it does not need a special computation or circuit for the second phase, where errors are implicitly propagated. Equilibrium Propagation shares similarities with Contrastive Hebbian Learning and Contrastive Divergence while solving the theoretical issues of both algorithms: our algorithm computes the gradient of a well defined objective function. Because the objective function is defined in terms of local perturbations, the second phase of Equilibrium Propagation corresponds to only nudging the prediction (fixed point, or stationary distribution) towards a configuration that reduces prediction error. In the case of a recurrent multi-layer supervised network, the output units are slightly nudged towards their target in the second phase, and the perturbation introduced at the output layer propagates backward in the hidden layers. We show that the signal 'back-propagated' during this second phase corresponds to the propagation of error derivatives and encodes the gradient of the objective function, when the synaptic update corresponds to a standard form of spike-timing dependent plasticity. This work makes it more plausible that a mechanism similar to Backpropagation could be implemented by brains, since leaky integrator neural computation performs both inference and error back-propagation in our model. The only local difference between the two phases is whether synaptic changes are allowed or not.

  • 2 authors
·
Mar 27, 2017

FlashSchNet: Fast and Accurate Coarse-Grained Neural Network Molecular Dynamics

Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels and memory-bound pipelines that underutilize GPUs. We show that a missing principle is making GNN-MD IO-aware, carefully accounting for reads and writes between GPU high-bandwidth memory (HBM) and on-chip SRAM. We present FlashSchNet, an efficient and accurate IO-aware SchNet-style GNN-MD framework built on four techniques: (1) flash radial basis, which fuses pairwise distance computation, Gaussian basis expansion, and cosine envelope into a single tiled pass, computing each distance once and reusing it across all basis functions; (2) flash message passing, which fuses cutoff, neighbor gather, filter multiplication, and reduction to avoid materializing edge tensors in HBM; (3) flash aggregation, which reformulates scatter-add via CSR segment reduce, reducing atomic writes by a factor of feature dimension and enabling contention-free accumulation in both forward and backward passes; (4) channel-wise 16-bit quantization that exploits the low per-channel dynamic range in SchNet MLP weights to further improve throughput with negligible accuracy loss. On a single NVIDIA RTX PRO 6000, FlashSchNet achieves 1000 ns/day aggregate simulation throughput over 64 parallel replicas on coarse-grained (CG) protein containing 269 beads (6.5x faster than CGSchNet baseline with 80% reduction of peak memory), surpassing classical force fields (e.g. MARTINI) while retaining SchNet-level accuracy and transferability.

  • 5 authors
·
Feb 13

WaveMix: A Resource-efficient Neural Network for Image Analysis

We propose WaveMix -- a novel neural architecture for computer vision that is resource-efficient yet generalizable and scalable. WaveMix networks achieve comparable or better accuracy than the state-of-the-art convolutional neural networks, vision transformers, and token mixers for several tasks, establishing new benchmarks for segmentation on Cityscapes; and for classification on Places-365, five EMNIST datasets, and iNAT-mini. Remarkably, WaveMix architectures require fewer parameters to achieve these benchmarks compared to the previous state-of-the-art. Moreover, when controlled for the number of parameters, WaveMix requires lesser GPU RAM, which translates to savings in time, cost, and energy. To achieve these gains we used multi-level two-dimensional discrete wavelet transform (2D-DWT) in WaveMix blocks, which has the following advantages: (1) It reorganizes spatial information based on three strong image priors -- scale-invariance, shift-invariance, and sparseness of edges, (2) in a lossless manner without adding parameters, (3) while also reducing the spatial sizes of feature maps, which reduces the memory and time required for forward and backward passes, and (4) expanding the receptive field faster than convolutions do. The whole architecture is a stack of self-similar and resolution-preserving WaveMix blocks, which allows architectural flexibility for various tasks and levels of resource availability. Our code and trained models are publicly available.

  • 4 authors
·
May 28, 2022

HEAPr: Hessian-based Efficient Atomic Expert Pruning in Output Space

Mixture-of-Experts (MoE) architectures in large language models (LLMs) deliver exceptional performance and reduced inference costs compared to dense LLMs. However, their large parameter counts result in prohibitive memory requirements, limiting practical deployment. While existing pruning methods primarily focus on expert-level pruning, this coarse granularity often leads to substantial accuracy degradation. In this work, we introduce HEAPr, a novel pruning algorithm that decomposes experts into smaller, indivisible atomic experts, enabling more precise and flexible atomic expert pruning. To measure the importance of each atomic expert, we leverage second-order information based on principles similar to Optimal Brain Surgeon (OBS) theory. To address the computational and storage challenges posed by second-order information, HEAPr exploits the inherent properties of atomic experts to transform the second-order information from expert parameters into that of atomic expert parameters, and further simplifies it to the second-order information of atomic expert outputs. This approach reduces the space complexity from O(d^4), where d is the model's dimensionality, to O(d^2). HEAPr requires only two forward passes and one backward pass on a small calibration set to compute the importance of atomic experts. Extensive experiments on MoE models, including DeepSeek MoE and Qwen MoE family, demonstrate that HEAPr outperforms existing expert-level pruning methods across a wide range of compression ratios and benchmarks. Specifically, HEAPr achieves nearly lossless compression at compression ratios of 20% ~ 25% in most models, while also reducing FLOPs nearly by 20%. The code can be found at https://github.com/LLIKKE/HEAPr{https://github.com/LLIKKE/HEAPr}.

  • 6 authors
·
Sep 26, 2025

RelP: Faithful and Efficient Circuit Discovery via Relevance Patching

Activation patching is a standard method in mechanistic interpretability for localizing the components of a model responsible for specific behaviors, but it is computationally expensive to apply at scale. Attribution patching offers a faster, gradient-based approximation, yet suffers from noise and reduced reliability in deep, highly non-linear networks. In this work, we introduce Relevance Patching (RelP), which replaces the local gradients in attribution patching with propagation coefficients derived from Layer-wise Relevance Propagation (LRP). LRP propagates the network's output backward through the layers, redistributing relevance to lower-level components according to local propagation rules that ensure properties such as relevance conservation or improved signal-to-noise ratio. Like attribution patching, RelP requires only two forward passes and one backward pass, maintaining computational efficiency while improving faithfulness. We validate RelP across a range of models and tasks, showing that it more accurately approximates activation patching than standard attribution patching, particularly when analyzing residual stream and MLP outputs in the Indirect Object Identification (IOI) task. For instance, for MLP outputs in GPT-2 Large, attribution patching achieves a Pearson correlation of 0.006, whereas RelP reaches 0.956, highlighting the improvement offered by RelP. Additionally, we compare the faithfulness of sparse feature circuits identified by RelP and Integrated Gradients (IG), showing that RelP achieves comparable faithfulness without the extra computational cost associated with IG.

  • 4 authors
·
Aug 28, 2025

Forward Learning of Graph Neural Networks

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

  • 8 authors
·
Mar 16, 2024

AnyFlow: Any-Step Video Diffusion Model with On-Policy Flow Map Distillation

Few-step video generation has been significantly advanced by consistency distillation. However, the performance of consistency-distilled models often degrades as more sampling steps are allocated at test time, limiting their effectiveness for any-step video diffusion. This limitation arises because consistency distillation replaces the original probability-flow ODE trajectory with a consistency-sampling trajectory, weakening the desirable test-time scaling behavior of ODE sampling. To address this limitation, we introduce AnyFlow, the first any-step video diffusion distillation framework based on flow maps. Instead of distilling a model for only a few fixed sampling steps, AnyFlow optimizes the full ODE sampling trajectory. To this end, we shift the distillation target from endpoint consistency mapping (z_{t}rightarrow z_{0}) to flow-map transition learning (z_{t}rightarrow z_{r}) over arbitrary time intervals. We further propose Flow Map Backward Simulation, which decomposes a full Euler rollout into shortcut flow-map transitions, enabling efficient on-policy distillation that reduces test-time errors (i.e., discretization error in few-step sampling and exposure bias in causal generation). Extensive experiments across both bidirectional and causal architectures, at scales ranging from 1.3B to 14B parameters, demonstrate that AnyFlow achieves performance matches or surpasses consistency-based counterparts in the few-step regime, while scaling with sampling step budgets.

nvidia NVIDIA
·
May 12 2

Can We Really Learn One Representation to Optimize All Rewards?

As machine learning has moved towards leveraging large models as priors for downstream tasks, the community has debated the right form of prior for solving reinforcement learning (RL) problems. If one were to try to prefetch as much computation as possible, they would attempt to learn a prior over the policies for some yet-to-be-determined reward function. Recent work (forward-backward (FB) representation learning) has tried this, arguing that an unsupervised representation learning procedure can enable optimal control over arbitrary rewards without further fine-tuning. However, FB's training objective and learning behavior remain mysterious. In this paper, we demystify FB by clarifying when such representations can exist, what its objective optimizes, and how it converges in practice. We draw connections with rank matching, fitted Q-evaluation, and contraction mapping. Our analysis suggests a simplified unsupervised pre-training method for RL that, instead of enabling optimal control, performs one step of policy improvement. We call our proposed method one-step forward-backward representation learning (one-step FB). Experiments in didactic settings, as well as in 10 state-based and image-based continuous control domains, demonstrate that one-step FB converges to errors 10^5 smaller and improves zero-shot performance by +24% on average. Our project website is available at https://chongyi-zheng.github.io/onestep-fb.

  • 3 authors
·
Feb 10

FlowBender: Feedback-Aware Training for Self-Correcting Conditional Flows

Conditional diffusion and flow models routinely fail to satisfy the very constraints that define their task. For instance, a depth-conditioned model often produces images whose re-extracted depth disagrees with the input, even though the forward operator--the depth predictor defining the constraint--is available during both training and inference. Existing approaches generally fall into two categories: supervised models that treat the conditioning signal as a static cue and ignore alignment information at inference, and guidance-based methods that consult it through hand-tuned linear updates, typically trading fidelity to the condition against the plausibility of the generated sample. We argue that the fundamental gap in both paradigms is that the model is never trained to utilize its own alignment error. We introduce FlowBender, a closed-loop framework that treats this error as a first-class input, training the network to learn a correction policy conditioned on inference-time feedback. At each step, an unguided look-ahead pass estimates the clean signal, a task-specific deviation is computed via the forward operator, and a refinement pass consumes this signal to produce a corrected velocity. We propose several variants of FlowBender, including a gradient-based formulation for differentiable operators and a zero-order variant for non-differentiable settings such as JPEG compression. For efficient sampling, we introduce a prior-step shortcut that enables closed-loop correction at a minimal additional computational cost. Across image-to-image translation, restoration, and 3D mesh texturing, FlowBender consistently outperforms standard supervised baselines, alignment-loss-augmented training, and state-of-the-art inference-time guidance, improving fidelity and plausibility simultaneously rather than trading them against each other. Project page: https://flow-bender.github.io/

Structural and Convergence Analysis of Discrete-Time Denoising Diffusion Probabilistic Models

This paper studies the original discrete-time denoising diffusion probabilistic model (DDPM) from a probabilistic point of view. We present three main theoretical results. First, we show that the time-dependent score function associated with the forward diffusion process admits a characterization as the backward component of a forward--backward stochastic differential equation (FBSDE). This result provides a structural description of the score function and clarifies how score estimation errors propagate along the reverse-time dynamics. As a by-product, we also obtain a system of semilinear parabolic PDEs for the score function. Second, we use tools from Schrödinger's problem to relate distributional errors arising in reverse time to corresponding errors in forward time. This approach allows us to control the reverse-time sampling error in a systematic way. Third, combining these results, we derive an explicit upper bound for the total variation distance between the sampling distribution of the discrete-time DDPM algorithm and the target data distribution under general finite noise schedules. The resulting bound separates the contributions of the learning error and the time discretization error. Our analysis highlights the intrinsic probabilistic structure underlying discrete-time DDPMs and provides a clearer understanding of the sources of error in their sampling procedure.

  • 1 authors
·
Jan 9

Self Gradient Forcing: Native Long Video Extrapolation

Recent autoregressive video diffusion methods are increasingly built upon Self Forcing, where the student is trained on histories produced by its own rollout rather than ground-truth video contexts. This reduces exposure bias, but the historical key-value cache is still used by future frames only as frozen rollout state. As a result, future losses cannot supervise how earlier generated latents should be written into more useful keys and values for later video-latent generation. We call this the historical context-gradient gap. We propose Self Gradient Forcing (SGF), a two-pass training strategy that restores this missing supervision signal without backpropagating through the full serial rollout. Pass 1 performs a no-gradient autoregressive rollout matching inference and, at a sampled denoising exit step, records both the self-generated context and the noisy latents fed to the model. Pass 2 performs parallel context-gradient reconstruction for the recorded exit step. The generated context is used as stop-gradient clean-latent input, while the model recomputes the context KV representations and future-to-context causal attention. Thus, SGF provides the missing memory-writing supervision within the native autoregressive training objective, using losses on future video latents to train the model to encode context into more effective causal memory. Across extensive long-horizon frame-wise and chunk-wise experiments under different initializations, SGF achieves stronger native long-video extrapolation than Self Forcing, especially in subject identity, background/layout consistency, and temporal stability. Remarkably, using only a 5-second training window, SGF can extrapolate to videos lasting several minutes. Code and models will be released to advance research on autoregressive video generation.

  • 14 authors
·
Jul 21 3

ODICE: Revealing the Mystery of Distribution Correction Estimation via Orthogonal-gradient Update

In this study, we investigate the DIstribution Correction Estimation (DICE) methods, an important line of work in offline reinforcement learning (RL) and imitation learning (IL). DICE-based methods impose state-action-level behavior constraint, which is an ideal choice for offline learning. However, they typically perform much worse than current state-of-the-art (SOTA) methods that solely use action-level behavior constraint. After revisiting DICE-based methods, we find there exist two gradient terms when learning the value function using true-gradient update: forward gradient (taken on the current state) and backward gradient (taken on the next state). Using forward gradient bears a large similarity to many offline RL methods, and thus can be regarded as applying action-level constraint. However, directly adding the backward gradient may degenerate or cancel out its effect if these two gradients have conflicting directions. To resolve this issue, we propose a simple yet effective modification that projects the backward gradient onto the normal plane of the forward gradient, resulting in an orthogonal-gradient update, a new learning rule for DICE-based methods. We conduct thorough theoretical analyses and find that the projected backward gradient brings state-level behavior regularization, which reveals the mystery of DICE-based methods: the value learning objective does try to impose state-action-level constraint, but needs to be used in a corrected way. Through toy examples and extensive experiments on complex offline RL and IL tasks, we demonstrate that DICE-based methods using orthogonal-gradient updates (O-DICE) achieve SOTA performance and great robustness.

  • 4 authors
·
Feb 1, 2024

LESS Is More: Mutual-Stability Sampling for Diffusion Language Models

Diffusion large language models (dLLMs) offer a promising alternative to autoregressive decoding by iteratively refining masked sequences, enabling parallel token updates and bidirectional conditioning. Their practical efficiency, however, is limited by sampling procedures that execute a fixed number of reverse denoising steps selected before decoding, spending computation on already-stable positions and sometimes committing unstable ones too early. We present LESS, a training-free, model-agnostic adaptive sampler that treats token commitment as an online stopping problem. LESS implements mutual-stability sampling through a joint stability rule that makes a masked position eligible for unmasking only when its top-1 prediction has high confidence, its top-1 token persists across recent reverse steps, and its predictive distribution is stable under top-K inter-step Jensen--Shannon divergence. We evaluate LESS on Dream-7B, LLaDA-8B, and LLaDA-1.5-8B, covering full-sequence diffusion and semi-autoregressive blockwise sampling regimes, across seven benchmarks spanning general knowledge, math, and code. LESS improves average accuracy over strong training-free adaptive samplers while using 72.1% fewer reverse steps than fixed-budget decoding. Since each reverse step requires a Transformer forward pass, these step-count reductions translate into fewer forward evaluations, lower measured wall-clock latency, and lower estimated inference compute.

  • 3 authors
·
Jun 14

Exact Diffusion Inversion via Bi-directional Integration Approximation

Recently, various methods have been proposed to address the inconsistency issue of DDIM inversion to enable image editing, such as EDICT [36] and Null-text inversion [22]. However, the above methods introduce considerable computational overhead. In this paper, we propose a new technique, named bi-directional integration approximation (BDIA), to perform exact diffusion inversion with neglible computational overhead. Suppose we would like to estimate the next diffusion state z_{i-1} at timestep t_i with the historical information (i,z_i) and (i+1,z_{i+1}). We first obtain the estimated Gaussian noise boldsymbol{epsilon}(z_i,i), and then apply the DDIM update procedure twice for approximating the ODE integration over the next time-slot [t_i, t_{i-1}] in the forward manner and the previous time-slot [t_i, t_{t+1}] in the backward manner. The DDIM step for the previous time-slot is used to refine the integration approximation made earlier when computing z_i. A nice property of BDIA-DDIM is that the update expression for z_{i-1} is a linear combination of (z_{i+1}, z_i, boldsymbol{epsilon}(z_i,i)). This allows for exact backward computation of z_{i+1} given (z_i, z_{i-1}), thus leading to exact diffusion inversion. It is demonstrated with experiments that (round-trip) BDIA-DDIM is particularly effective for image editing. Our experiments further show that BDIA-DDIM produces markedly better image sampling qualities than DDIM for text-to-image generation. BDIA can also be applied to improve the performance of other ODE solvers in addition to DDIM. In our work, it is found that applying BDIA to the EDM sampling procedure produces consistently better performance over four pre-trained models.

  • 3 authors
·
Jul 10, 2023

Alleviating Exposure Bias in Diffusion Models through Sampling with Shifted Time Steps

Diffusion Probabilistic Models (DPM) have shown remarkable efficacy in the synthesis of high-quality images. However, their inference process characteristically requires numerous, potentially hundreds, of iterative steps, which could exaggerate the problem of exposure bias due to the training and inference discrepancy. Previous work has attempted to mitigate this issue by perturbing inputs during training, which consequently mandates the retraining of the DPM. In this work, we conduct a systematic study of exposure bias in DPM and, intriguingly, we find that the exposure bias could be alleviated with a novel sampling method that we propose, without retraining the model. We empirically and theoretically show that, during inference, for each backward time step t and corresponding state x_t, there might exist another time step t_s which exhibits superior coupling with x_t. Based on this finding, we introduce a sampling method named Time-Shift Sampler. Our framework can be seamlessly integrated to existing sampling algorithms, such as DDPM, DDIM and other high-order solvers, inducing merely minimal additional computations. Experimental results show our method brings significant and consistent improvements in FID scores on different datasets and sampling methods. For example, integrating Time-Shift Sampler to F-PNDM yields a FID=3.88, achieving 44.49\% improvements as compared to F-PNDM, on CIFAR-10 with 10 sampling steps, which is more performant than the vanilla DDIM with 100 sampling steps. Our code is available at https://github.com/Mingxiao-Li/TS-DPM.

  • 5 authors
·
May 24, 2023

BiPer: Binary Neural Networks using a Periodic Function

Quantized neural networks employ reduced precision representations for both weights and activations. This quantization process significantly reduces the memory requirements and computational complexity of the network. Binary Neural Networks (BNNs) are the extreme quantization case, representing values with just one bit. Since the sign function is typically used to map real values to binary values, smooth approximations are introduced to mimic the gradients during error backpropagation. Thus, the mismatch between the forward and backward models corrupts the direction of the gradient, causing training inconsistency problems and performance degradation. In contrast to current BNN approaches, we propose to employ a binary periodic (BiPer) function during binarization. Specifically, we use a square wave for the forward pass to obtain the binary values and employ the trigonometric sine function with the same period of the square wave as a differentiable surrogate during the backward pass. We demonstrate that this approach can control the quantization error by using the frequency of the periodic function and improves network performance. Extensive experiments validate the effectiveness of BiPer in benchmark datasets and network architectures, with improvements of up to 1% and 0.69% with respect to state-of-the-art methods in the classification task over CIFAR-10 and ImageNet, respectively. Our code is publicly available at https://github.com/edmav4/BiPer.

  • 4 authors
·
Apr 1, 2024