Daily Papers

We present HyperQuant (Hadamard, optimallY Packing, Entropy Rice-coding), a unified post-training quantization pipeline for the weights and the KV cache of large language and diffusion transformers. Across a suite of self-contained experiments (Table 1), HyperQuant outperforms the recent HIGGS scheme at every operating point from 3 to 5 bits per scalar (bps) on weights, and beats both TurboQuant and OCTOPUS on KV quantization down to 1.7 bps. Beyond the LLM setting, HyperQuant quantizes the 19B-parameter LTX-2 DiT video model with no observable per-frame artifacts. End-to-end on an H100 at 4 bps, HyperQuant compresses the linear weights ~3.9x and the KV cache ~3.79x at near-lossless quality. HyperQuant combines four known ideas into a single construction: (i) a per-tile Randomized Hadamard Transform that makes the per-coordinate distribution of weights and activations approximately Gaussian; (ii) quantization to a low-dimensional optimal lattice (E8, D4, A2, or Z); (iii) lossless bit-stripping and near-entropy-optimal variable-length Rice coding of the lattice indices; and (iv) bias-correction methods for the KV cache that keep the reconstruction unbiased under inner products, preserving attention semantics. We further integrate the pipeline with 8-bit and 4-bit Tensor-Core MMA paths (fp8-e4m3, int8, nvfp4, mxfp4), and find that int8 beats fp8 on the post-RHT lattice output. Project page: https://moonmath.ai/hyperquant/

Tensor Cores have been an important unit to accelerate Fused Matrix Multiplication Accumulation (MMA) in all NVIDIA GPUs since Volta Architecture. To program Tensor Cores, users have to use either legacy wmma APIs or current mma APIs. Legacy wmma APIs are more easy-to-use but can only exploit limited features and power of Tensor Cores. Specifically, wmma APIs support fewer operand shapes and can not leverage the new sparse matrix multiplication feature of the newest Ampere Tensor Cores. However, the performance of current programming interface has not been well explored. Furthermore, the computation numeric behaviors of low-precision floating points (TF32, BF16, and FP16) supported by the newest Ampere Tensor Cores are also mysterious. In this paper, we explore the throughput and latency of current programming APIs. We also intuitively study the numeric behaviors of Tensor Cores MMA and profile the intermediate operations including multiplication, addition of inner product, and accumulation. All codes used in this work can be found in https://github.com/sunlex0717/DissectingTensorCores.

This work studies the combinatorial optimization problem of finding an optimal core tensor shape, also called multilinear rank, for a size-constrained Tucker decomposition. We give an algorithm with provable approximation guarantees for its reconstruction error via connections to higher-order singular values. Specifically, we introduce a novel Tucker packing problem, which we prove is NP-hard, and give a polynomial-time approximation scheme based on a reduction to the 2-dimensional knapsack problem with a matroid constraint. We also generalize our techniques to tree tensor network decompositions. We implement our algorithm using an integer programming solver, and show that its solution quality is competitive with (and sometimes better than) the greedy algorithm that uses the true Tucker decomposition loss at each step, while also running up to 1000x faster.

SO(3)-equivariant networks are the dominant models for machine learning interatomic potentials (MLIPs). The key operation of such networks is the Clebsch-Gordan (CG) tensor product, which is computationally expensive. To accelerate the computation, we develop tensor decomposition networks (TDNs) as a class of approximately equivariant networks in which CG tensor products are replaced by low-rank tensor decompositions, such as the CANDECOMP/PARAFAC (CP) decomposition. With the CP decomposition, we prove (i) a uniform bound on the induced error of SO(3)-equivariance, and (ii) the universality of approximating any equivariant bilinear map. To further reduce the number of parameters, we propose path-weight sharing that ties all multiplicity-space weights across the O(L^3) CG paths into a single shared parameter set without compromising equivariance, where L is the maximum angular degree. The resulting layer acts as a plug-and-play replacement for tensor products in existing networks, and the computational complexity of tensor products is reduced from O(L^6) to O(L^4). We evaluate TDNs on PubChemQCR, a newly curated molecular relaxation dataset containing 105 million DFT-calculated snapshots. We also use existing datasets, including OC20, and OC22. Results show that TDNs achieve competitive performance with dramatic speedup in computations. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS/tree/main/OpenMol/TDN{https://github.com/divelab/AIRS/}).

E(3)-equivariant neural networks have demonstrated success across a wide range of 3D modelling tasks. A fundamental operation in these networks is the tensor product, which interacts two geometric features in an equivariant manner to create new features. Due to the high computational complexity of the tensor product, significant effort has been invested to optimize the runtime of this operation. For example, Luo et al. (2024) recently proposed the Gaunt tensor product (GTP) which promises a significant speedup. In this work, we provide a careful, systematic analysis of a number of tensor product operations. In particular, we emphasize that different tensor products are not performing the same operation. The reported speedups typically come at the cost of expressivity. We introduce measures of expressivity and interactability to characterize these differences. In addition, we realized the original implementation of GTP can be greatly simplified by directly using a spherical grid at no cost in asymptotic runtime. This spherical grid approach is faster on our benchmarks and in actual training of the MACE interatomic potential by 30%. Finally, we provide the first systematic microbenchmarks of the various tensor product operations. We find that the theoretical runtime guarantees can differ wildly from empirical performance, demonstrating the need for careful application-specific benchmarking. Code is available at https://github.com/atomicarchitects/PriceofFreedom.

We introduce Mirage, the first multi-level superoptimizer for tensor programs. A key idea in Mirage is μGraphs, a uniform representation of tensor programs at the kernel, thread block, and thread levels of the GPU compute hierarchy. μGraphs enable Mirage to discover novel optimizations that combine algebraic transformations, schedule transformations, and generation of new custom kernels. To navigate the large search space, Mirage introduces a pruning technique based on abstraction that significantly reduces the search space and provides a certain optimality guarantee. To ensure that the optimized μGraph is equivalent to the input program, Mirage introduces a probabilistic equivalence verification procedure with strong theoretical guarantees. Our evaluation shows that Mirage outperforms existing approaches by up to 3.3times even for DNNs that are widely used and heavily optimized. Mirage is publicly available at https://github.com/mirage-project/mirage.

The deployment of Large Language Models (LLMs) on edge devices is fundamentally constrained by the "Memory Wall" the bottleneck where data movement latency outstrips arithmetic throughput. Standard inference runtimes often incur significant overhead through high-level abstractions, dynamic dispatch, and unaligned memory access patterns. In this work, we present a novel "Virtual Tensor Core" architecture implemented in software, optimized specifically for ARM64 microarchitectures (Apple Silicon). By bypassing standard library containers in favor of direct memory mapping (mmap) and implementing hand-tuned NEON SIMD kernels, we achieve a form of "Software-Defined Direct Memory Access (DMA)." Our proposed Tensor Virtualization Layout (TVL) guarantees 100% cache line utilization for weight matrices, while our zero-copy loader eliminates initialization latency. Experimental results on a 110M parameter model demonstrate a stable throughput of >60 tokens/second on M2 hardware. While proprietary hardware accelerators (e.g., Apple AMX) can achieve higher peak throughput, our architecture provides a fully open, portable, and deterministic reference implementation for studying the memory bottleneck on general-purpose ARM silicon, meeting the 200ms psycholinguistic latency threshold without opaque dependencies.

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models such as Tucker, tensor train (TT) and tensor ring (TR). However, identifying the best tensor network structure from data for a given task is challenging. In this work, we leverage the TN formalism to develop a generic and efficient adaptive algorithm to jointly learn the structure and the parameters of a TN from data. Our method is based on a simple greedy approach starting from a rank one tensor and successively identifying the most promising tensor network edges for small rank increments. Our algorithm can adaptively identify TN structures with small number of parameters that effectively optimize any differentiable objective function. Experiments on tensor decomposition, tensor completion and model compression tasks demonstrate the effectiveness of the proposed algorithm. In particular, our method outperforms the state-of-the-art evolutionary topology search [Li and Sun, 2020] for tensor decomposition of images (while being orders of magnitude faster) and finds efficient tensor network structures to compress neural networks outperforming popular TT based approaches [Novikov et al., 2015].

The scaling of Large Language Models (LLMs) drives interest in matrix-based optimizers (e.g., Shampoo, Muon, SOAP) for their convergence efficiency; yet their requirement for holistic updates conflicts with the tensor fragmentation in distributed frameworks like Megatron. Existing solutions are suboptimal: synchronous approaches suffer from computational redundancy, while layer-wise partitioning fails to reconcile this conflict without violating the geometric constraints of efficient communication primitives. To bridge this gap, we propose Canzona, a Unified, Asynchronous, and Load-Balanced framework that decouples logical optimizer assignment from physical parameter distribution. For Data Parallelism, we introduce an alpha-Balanced Static Partitioning strategy that respects atomicity while neutralizing the load imbalance. For Tensor Parallelism, we design an Asynchronous Compute pipeline utilizing Micro-Group Scheduling to batch fragmented updates and hide reconstruction overhead. Extensive evaluations on the Qwen3 model family (up to 32B parameters) on 256 GPUs demonstrate that our approach preserves the efficiency of established parallel architectures, achieving a 1.57x speedup in end-to-end iteration time and reducing optimizer step latency by 5.8x compared to the baseline.

One of the major optimizations employed in deep learning frameworks is graph rewriting. Production frameworks rely on heuristics to decide if rewrite rules should be applied and in which order. Prior research has shown that one can discover more optimal tensor computation graphs if we search for a better sequence of substitutions instead of relying on heuristics. However, we observe that existing approaches for tensor graph superoptimization both in production and research frameworks apply substitutions in a sequential manner. Such sequential search methods are sensitive to the order in which the substitutions are applied and often only explore a small fragment of the exponential space of equivalent graphs. This paper presents a novel technique for tensor graph superoptimization that employs equality saturation to apply all possible substitutions at once. We show that our approach can find optimized graphs with up to 16% speedup over state-of-the-art, while spending on average 48x less time optimizing.

Multi-head Latent Attention (MLA), the attention used in DeepSeek-V2/V3, jointly compresses keys and values into a low-rank latent and matches the H100 roofline almost perfectly. Its trained weights, however, expose only one decoding path - an absorbed MQA form - which ties efficient inference to H100-class compute-bandwidth ratios, forfeits tensor parallelism along the head axis, and yields no Multi-Token Prediction (MTP) gain on commodity inference GPUs such as the export-restricted H20. We propose Group-Query Latent Attention (GQLA), a minimal modification of MLA whose trained weights expose two algebraically equivalent decoding paths over the same parameters: an MQA-absorb path identical to MLA's, and a GQA path with a per-group expanded cache. The runtime picks the path that matches the target hardware - no retraining, no custom kernels - so a single set of GQLA weights pins the rooflines of both H100 (MQA-absorb, s_q=1) and H20 (GQA + MTP, s_q=2), while supporting up to 8-way zero-redundancy tensor parallelism on the GQA path. To avoid pretraining from scratch we extend TransMLA into TransGQLA, which converts a pretrained GQA checkpoint into a GQLA model; on LLaMA-3-8B it compresses the per-token KV cache to 28.125% of the GQA baseline on the MQA-absorb path while structurally preserving GQA-level traffic on the per-group path.

We present MiniTensor, an open source tensor operations library that focuses on minimalism, correctness, and performance. MiniTensor exposes a familiar PyTorch-like Python API while it executes performance critical code in a Rust engine. The core supports dense n dimensional tensors, broadcasting, reductions, matrix multiplication, reverse mode automatic differentiation, a compact set of neural network layers, and standard optimizers. In this paper, we describe the design of MiniTensor's architecture, including its efficient memory management, dynamic computation graph for gradients, and integration with Python via PyO3. We also compare the install footprint with PyTorch and TensorFlow to demonstrate that MiniTensor achieves a package size of only a few megabytes, several orders of magnitude smaller than mainstream frameworks, while preserving the essentials needed for research and development on CPUs. The repository can be found at https://github.com/neuralsorcerer/minitensor

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

Matrix multiplication optimization remains a fundamental challenge in computational mathematics. This work introduces a novel approach that discovers matrix multiplication schemes in the ternary field (Z_T), where coefficients are restricted to {-1, 0, 1} to minimize naive additive complexity. The core of the method is a GPU-accelerated meta flip graph algorithm that maintains ternary safety through specialized arithmetic operations and sign symmetry breaking. Key results include new best ranks for the formats 4 times 5 times 12, 5 times 6 times 10, and 6 times 7 times 9, the independent discovery of 32 schemes in Z_T that match known optimal ranks (including 8 previously known only with rational coefficients), and 30 rank improvements in the binary field. The analysis of 164 known schemes shows that 92 can be implemented in Z_T, while 72 could not be found in the ternary field with current methods, defining the current boundaries of this approach. All software, results, and discovered schemes are provided as open-source.

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

In multi-task learning, the conventional approach involves training a model on multiple tasks simultaneously. However, the training signals from different tasks can interfere with one another, potentially leading to negative transfer. To mitigate this, we investigate if modular language models can facilitate positive transfer and systematic generalization. Specifically, we propose a novel modular language model (TensorPoly), that balances parameter efficiency with nuanced routing methods. For modules, we reparameterize Low-Rank Adaptation (LoRA) by employing an entangled tensor through the use of tensor product operations and name the resulting approach TLoRA. For routing function, we tailor two innovative routing functions according to the granularity: TensorPoly-I which directs to each rank within the entangled tensor while TensorPoly-II offers a finer-grained routing approach targeting each order of the entangled tensor. The experimental results from the multi-task T0-benchmark demonstrate that: 1) all modular LMs surpass the corresponding dense approaches, highlighting the potential of modular language models to mitigate negative inference in multi-task learning and deliver superior outcomes. 2) TensorPoly-I achieves higher parameter efficiency in adaptation and outperforms other modular LMs, which shows the potential of our approach in multi-task transfer learning.

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.

Tensor network (TN) is a powerful framework in machine learning, but selecting a good TN model, known as TN structure search (TN-SS), is a challenging and computationally intensive task. The recent approach TNLS~li2022permutation showed promising results for this task, however, its computational efficiency is still unaffordable, requiring too many evaluations of the objective function. We propose TnALE, a new algorithm that updates each structure-related variable alternately by local enumeration, greatly reducing the number of evaluations compared to TNLS. We theoretically investigate the descent steps for TNLS and TnALE, proving that both algorithms can achieve linear convergence up to a constant if a sufficient reduction of the objective is reached in each neighborhood. We also compare the evaluation efficiency of TNLS and TnALE, revealing that Omega(2^N) evaluations are typically required in TNLS for reaching the objective reduction in the neighborhood, while ideally O(N^2R) evaluations are sufficient in TnALE, where N denotes the tensor order and R reflects the ``low-rankness'' of the neighborhood. Experimental results verify that TnALE can find practically good TN-ranks and permutations with vastly fewer evaluations than the state-of-the-art algorithms.

As large language model (LLM) inference demands ever-greater resources, there is a rapid growing trend of using low-bit weights to shrink memory usage and boost inference efficiency. However, these low-bit LLMs introduce the need for mixed-precision matrix multiplication (mpGEMM), which is a crucial yet under-explored operation that involves multiplying lower-precision weights with higher-precision activations. Unfortunately, current hardware does not natively support mpGEMM, resulting in indirect and inefficient dequantization-based implementations. To address the mpGEMM requirements in low-bit LLMs, we explored the lookup table (LUT)-based approach for mpGEMM. However, a conventional LUT implementation falls short of its potential. To fully harness the power of LUT-based mpGEMM, we introduce LUT Tensor Core, a software-hardware co-design optimized for low-bit LLM inference. Specifically, we introduce software-based operator fusion and table symmetrization techniques to optimize table precompute and table storage, respectively. Then, LUT Tensor Core proposes the hardware design featuring an elongated tiling shape design to enhance table reuse and a bit-serial design to support various precision combinations in mpGEMM. Moreover, we design an end-to-end compilation stack with new instructions for LUT-based mpGEMM, enabling efficient LLM compilation and optimizations. The evaluation on low-bit LLMs (e.g., BitNet, LLAMA) shows that LUT Tensor Core achieves more than a magnitude of improvements on both compute density and energy efficiency.

As large language models continue to scale, fine-grained block-scaled low-precision formats such as NVFP4 are increasingly adopted for their substantial throughput and memory benefits. However, a single FP4 micro-format often mismatches heterogeneous block-level tensor statistics. To address this without changing the standard block-scaled MMA/GEMM execution path, we propose MixFP4, a mixed micro-format extension to NVFP4 that selects between two stored FP4 micro-formats (E2M1 and E1M2) per block. MixFP4 reuses NVFP4's scale hierarchy and encodes the format choice with zero additional metadata by repurposing the sign bit of the FP8 E4M3 block scale. By decoding both micro-formats into a unified internal E2M2 compute representation, MixFP4 avoids datapath duplication. Across representative LLM families, MixFP4 improves FP4 quantization robustness and accuracy over NVFP4 baselines with modest tensor-core overhead (3.1\% area, 1.5\% power).

General matrix-matrix multiplication (GEMM) is a cornerstone of AI computations, making tensor processing engines (TPEs) increasingly critical in GPUs and domain-specific architectures. Existing architectures primarily optimize dataflow or operand reuse strategies. However, considering the interaction between matrix multiplication and multiply-accumulators (MACs) offers greater optimization potential. This work introduces a novel hardware perspective on matrix multiplication, focusing on the bit-weight dimension of MACs. We propose a finer-grained TPE notation using matrix triple loops as an example, introducing new methods for designing and optimizing PE microarchitectures. Based on this notation and its transformations, we propose four optimization techniques that improve timing, area, and power consumption. Implementing our design in RTL using the SMIC-28nm process, we evaluate its effectiveness across four classic TPE architectures: systolic array, 3D-Cube, multiplier-adder tree, and 2D-Matrix. Our techniques achieve area efficiency improvements of 1.27x, 1.28x, 1.56x, and 1.44x, and energy efficiency gains of 1.04x, 1.56x, 1.49x, and 1.20x, respectively. Applied to a bit-slice architecture, our approach achieves a 12.10x improvement in energy efficiency and 2.85x in area efficiency compared to Laconic. Our Verilog HDL code, along with timing, area, and power reports, is available at https://github.com/wqzustc/High-Performance-Tensor-Processing-Engines

Genetic pathways usually encode molecular mechanisms that can inform targeted interventions. It is often challenging for existing machine learning approaches to jointly model genetic pathways (higher-order features) and variants (atomic features), and present to clinicians interpretable models. In order to build more accurate and better interpretable machine learning models for genetic medicine, we introduce Pathway Augmented Nonnegative Tensor factorization for HighER-order feature learning (PANTHER). PANTHER selects informative genetic pathways that directly encode molecular mechanisms. We apply genetically motivated constrained tensor factorization to group pathways in a way that reflects molecular mechanism interactions. We then train a softmax classifier for disease types using the identified pathway groups. We evaluated PANTHER against multiple state-of-the-art constrained tensor/matrix factorization models, as well as group guided and Bayesian hierarchical models. PANTHER outperforms all state-of-the-art comparison models significantly (p<0.05). Our experiments on large scale Next Generation Sequencing (NGS) and whole-genome genotyping datasets also demonstrated wide applicability of PANTHER. We performed feature analysis in predicting disease types, which suggested insights and benefits of the identified pathway groups.

We give explicit low-rank bilinear non-commutative schemes for multiplying structured n times n matrices with 2 leq n leq 5, which serve as building blocks for recursive algorithms with improved multiplicative factors in asymptotic complexity. Our schemes are discovered over F_2 or F_3 and lifted to Z or Q. Using a flip graph search over tensor decompositions, we derive schemes for general, upper-triangular, lower-triangular, symmetric, and skew-symmetric inputs, as well as products of a structured matrix with its transpose. In particular, we obtain 4 times 4 rank-34 schemes: (i) multiplying a general matrix by its transpose using 10 recursive calls, improving the factor from 26/41 (0.634) to 8/13 (0.615); and (ii) multiplying an upper-triangular matrix by a general matrix using 12 recursive calls, improving the factor from 8/13 (0.615) to 22/37 (0.595). Additionally, using F_3 flip graphs, we discover schemes over Q that fundamentally require the inverse of 2, including a 2 times 2 symmetric-symmetric multiplication of rank 5 and a 3 times 3 skew-symmetric-general multiplication of rank 14 (improving upon AlphaTensor's 15).

Blending multiple convolutional kernels is proved advantageous in neural architecture design. However, current two-stage neural architecture search methods are mainly limited to single-path search spaces. How to efficiently search models of multi-path structures remains a difficult problem. In this paper, we are motivated to train a one-shot multi-path supernet to accurately evaluate the candidate architectures. Specifically, we discover that in the studied search spaces, feature vectors summed from multiple paths are nearly multiples of those from a single path. Such disparity perturbs the supernet training and its ranking ability. Therefore, we propose a novel mechanism called Shadow Batch Normalization (SBN) to regularize the disparate feature statistics. Extensive experiments prove that SBNs are capable of stabilizing the optimization and improving ranking performance. We call our unified multi-path one-shot approach as MixPath, which generates a series of models that achieve state-of-the-art results on ImageNet.

Efficiently approximating local curvature information of the loss function is a key tool for optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, which can limit their practicality. In this work, we investigate matrix-free, linear-time approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. We propose two new algorithms as part of a framework called M-FAC: the first algorithm is tailored towards network compression and can compute the IHVP for dimension d, if the Hessian is given as a sum of m rank-one matrices, using O(dm^2) precomputation, O(dm) cost for computing the IHVP, and query cost O(m) for any single element of the inverse Hessian. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction, as required for preconditioned SGD. We give an algorithm with cost O(dm + m^2) for computing the IHVP and O(dm + m^3) for adding or removing any gradient from the sliding window. These two algorithms yield state-of-the-art results for network pruning and optimization with lower computational overhead relative to existing second-order methods. Implementations are available at [9] and [17].

Tensor computations, with matrix multiplication being the primary operation, serve as the fundamental basis for data analysis, physics, machine learning, and deep learning. As the scale and complexity of data continue to grow rapidly, the demand for tensor computations has also increased significantly. To meet this demand, several research institutions have started developing dedicated hardware for tensor computations. To further improve the computational performance of tensor process units, we have reexamined the issue of computation reuse that was previously overlooked in existing architectures. As a result, we propose a novel EN-T architecture that can reduce chip area and power consumption. Furthermore, our method is compatible with existing tensor processing units. We evaluated our method on prevalent microarchitectures, the results demonstrate an average improvement in area efficiency of 8.7\%, 12.2\%, and 11.0\% for tensor computing units at computational scales of 256 GOPS, 1 TOPS, and 4 TOPS, respectively. Similarly, there were energy efficiency enhancements of 13.0\%, 17.5\%, and 15.5\%.

In this paper we show how tensor networks help in developing explainability of machine learning algorithms. Specifically, we develop an unsupervised clustering algorithm based on Matrix Product States (MPS) and apply it in the context of a real use-case of adversary-generated threat intelligence. Our investigation proves that MPS rival traditional deep learning models such as autoencoders and GANs in terms of performance, while providing much richer model interpretability. Our approach naturally facilitates the extraction of feature-wise probabilities, Von Neumann Entropy, and mutual information, offering a compelling narrative for classification of anomalies and fostering an unprecedented level of transparency and interpretability, something fundamental to understand the rationale behind artificial intelligence decisions.

The paper proposes a novel machine learning-based approach to the pathfinding problem on extremely large graphs. This method leverages diffusion distance estimation via a neural network and uses beam search for pathfinding. We demonstrate its efficiency by finding solutions for 4x4x4 and 5x5x5 Rubik's cubes with unprecedentedly short solution lengths, outperforming all available solvers and introducing the first machine learning solver beyond the 3x3x3 case. In particular, it surpasses every single case of the combined best results in the Kaggle Santa 2023 challenge, which involved over 1,000 teams. For the 3x3x3 Rubik's cube, our approach achieves an optimality rate exceeding 98%, matching the performance of task-specific solvers and significantly outperforming prior solutions such as DeepCubeA (60.3%) and EfficientCube (69.6%). Additionally, our solution is more than 26 times faster in solving 3x3x3 Rubik's cubes while requiring up to 18.5 times less model training time than the most efficient state-of-the-art competitor.

Ultra-long-context capability is becoming indispensable for frontier LLMs: agentic workflows, repository-scale code reasoning, and persistent memory all require the model to jointly attend over hundreds of thousands to millions of tokens, yet the quadratic cost of softmax attention makes this untenable at deployment scale. We introduce MiniMax Sparse Attention (MSA), a blockwise sparse attention built upon Grouped Query Attention (GQA). A lightweight Index Branch scores key-value blocks and independently selects a Top-k subset for each GQA group, enabling group-specific sparse retrieval while maintaining efficient block-level execution; the Main Branch then performs exact block-sparse attention over only the selected blocks. Designed around a principle of simplicity and scalability, MSA is deliberately streamlined, making it straightforward to deploy efficiently across a broad range of GPUs. To translate sparsity into practical speedups, we co-design MSA with a GPU execution path that uses exp-free Top-k selection and KV-outer sparse attention to improve tensor-core utilization under block-granular access. On a 109B-parameter model with native multimodal training, MSA performs on par with GQA while reducing per-token attention compute by 28.4x at 1M context. Paired with our co-designed kernel, MSA achieves 14.2x prefill and 7.6x decoding wall-clock speedups on H800. Our inference kernel is available at: https://github.com/MiniMax-AI/MSA. A production-grade natively multimodal model powered by MSA has been publicly released at: https://huggingface.co/MiniMaxAI/MiniMax-M3.

Going beyond stochastic gradient descent (SGD), what new phenomena emerge in wide neural networks trained by adaptive optimizers like Adam? Here we show: The same dichotomy between feature learning and kernel behaviors (as in SGD) holds for general optimizers as well, including Adam -- albeit with a nonlinear notion of "kernel." We derive the corresponding "neural tangent" and "maximal update" limits for any architecture. Two foundational advances underlie the above results: 1) A new Tensor Program language, NEXORT, that can express how adaptive optimizers process gradients into updates. 2) The introduction of bra-ket notation to drastically simplify expressions and calculations in Tensor Programs. This work summarizes and generalizes all previous results in the Tensor Programs series of papers.

We present a new class of fast polylog-linear algorithms based on the theory of structured matrices (in particular low displacement rank) for integrating tensor fields defined on weighted trees. Several applications of the resulting fast tree-field integrators (FTFIs) are presented, including (a) approximation of graph metrics with tree metrics, (b) graph classification, (c) modeling on meshes, and finally (d) Topological Transformers (TTs) (Choromanski et al., 2022) for images. For Topological Transformers, we propose new relative position encoding (RPE) masking mechanisms with as few as three extra learnable parameters per Transformer layer, leading to 1.0-1.5%+ accuracy gains. Importantly, most of FTFIs are exact methods, thus numerically equivalent to their brute-force counterparts. When applied to graphs with thousands of nodes, those exact algorithms provide 5.7-13x speedups. We also provide an extensive theoretical analysis of our methods.

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

We algorithmically determine the regions and facets of all dimensions of the canonical polyhedral complex, the universal object into which a ReLU network decomposes its input space. We show that the locations of the vertices of the canonical polyhedral complex along with their signs with respect to layer maps determine the full facet structure across all dimensions. We present an algorithm which calculates this full combinatorial structure, making use of our theorems that the dual complex to the canonical polyhedral complex is cubical and it possesses a multiplication compatible with its facet structure. The resulting algorithm is numerically stable, polynomial time in the number of intermediate neurons, and obtains accurate information across all dimensions. This permits us to obtain, for example, the true topology of the decision boundaries of networks with low-dimensional inputs. We run empirics on such networks at initialization, finding that width alone does not increase observed topology, but width in the presence of depth does. Source code for our algorithms is accessible online at https://github.com/mmasden/canonicalpoly.

For any graph G having n vertices and its automorphism group Aut(G), we provide a full characterisation of all of the possible Aut(G)-equivariant neural networks whose layers are some tensor power of R^{n}. In particular, we find a spanning set of matrices for the learnable, linear, Aut(G)-equivariant layer functions between such tensor power spaces in the standard basis of R^{n}.

With the fast growth of parameter size, it becomes increasingly challenging to deploy large generative models as they typically require large GPU memory consumption and massive computation. Unstructured model pruning has been a common approach to reduce both GPU memory footprint and the overall computation while retaining good model accuracy. However, the existing solutions do not provide a highly-efficient support for handling unstructured sparsity on modern GPUs, especially on the highly-structured Tensor Core hardware. Therefore, we propose Flash-LLM for enabling low-cost and highly-efficient large generative model inference with the sophisticated support of unstructured sparsity on high-performance but highly restrictive Tensor Cores. Based on our key observation that the main bottleneck of generative model inference is the several skinny matrix multiplications for which Tensor Cores would be significantly under-utilized due to low computational intensity, we propose a general Load-as-Sparse and Compute-as-Dense methodology for unstructured sparse matrix multiplication. The basic insight is to address the significant memory bandwidth bottleneck while tolerating redundant computations that are not critical for end-to-end performance on Tensor Cores. Based on this, we design an effective software framework for Tensor Core based unstructured SpMM, leveraging on-chip resources for efficient sparse data extraction and computation/memory-access overlapping. At SpMM kernel level, Flash-LLM significantly outperforms the state-of-the-art library, i.e., Sputnik and SparTA by an average of 2.9x and 1.5x, respectively. At end-to-end framework level on OPT-30B/66B/175B models, for tokens per GPU-second, Flash-LLM achieves up to 3.8x and 3.6x improvement over DeepSpeed and FasterTransformer, respectively, with significantly lower inference cost.

We propose a minimal path method to simultaneously compute segmentation masks and extract centerlines of tubular structures with line-topology. Minimal path methods are commonly used for the segmentation of tubular structures in a wide variety of applications. Recent methods use features extracted by CNNs, and often outperform methods using hand-tuned features. However, for CNN-based methods, the samples used for training may be generated inappropriately, so that they can be very different from samples encountered during inference. We approach this discrepancy by introducing a novel iterative training scheme, which enables generating better training samples specifically tailored for the minimal path methods without changing existing annotations. In our method, segmentation masks and centerlines are not determined after one another by post-processing, but obtained using the same steps. Our method requires only very few annotated training images. Comparison with seven previous approaches on three public datasets, including satellite images and medical images, shows that our method achieves state-of-the-art results both for segmentation masks and centerlines.

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

We show how the Schur-Weyl duality that exists between the partition algebra and the symmetric group results in a stronger theoretical foundation for characterising all of the possible permutation equivariant neural networks whose layers are some tensor power of the permutation representation M_n of the symmetric group S_n. In doing so, we unify two separate bodies of literature, and we correct some of the major results that are now widely quoted by the machine learning community. In particular, we find a basis of matrices for the learnable, linear, permutation equivariant layer functions between such tensor power spaces in the standard basis of M_n by using an elegant graphical representation of a basis of set partitions for the partition algebra and its related vector spaces. Also, we show how we can calculate the number of weights that must appear in these layer functions by looking at certain paths through the McKay quiver for M_n. Finally, we describe how our approach generalises to the construction of neural networks that are equivariant to local symmetries.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

The learnable, linear neural network layers between tensor power spaces of R^{n} that are equivariant to the orthogonal group, O(n), the special orthogonal group, SO(n), and the symplectic group, Sp(n), were characterised in arXiv:2212.08630. We present an algorithm for multiplying a vector by any weight matrix for each of these groups, using category theoretic constructions to implement the procedure. We achieve a significant reduction in computational cost compared with a naive implementation by making use of Kronecker product matrices to perform the multiplication. We show that our approach extends to the symmetric group, S_n, recovering the algorithm of arXiv:2303.06208 in the process.

We study the estimation of a planted signal hidden in a recently introduced nested matrix-tensor model, which is an extension of the classical spiked rank-one tensor model, motivated by multi-view clustering. Prior work has theoretically examined the performance of a tensor-based approach, which relies on finding a best rank-one approximation, a problem known to be computationally hard. A tractable alternative approach consists in computing instead the best rank-one (matrix) approximation of an unfolding of the observed tensor data, but its performance was hitherto unknown. We quantify here the performance gap between these two approaches, in particular by deriving the precise algorithmic threshold of the unfolding approach and demonstrating that it exhibits a BBP-type transition behavior. This work is therefore in line with recent contributions which deepen our understanding of why tensor-based methods surpass matrix-based methods in handling structured tensor data.

Equivariant Graph Neural Networks (EGNNs) have become a widely used approach for modeling 3D atomistic systems. However, mainstream architectures face critical scalability bottlenecks due to the explicit construction of geometric features or dense tensor products on every edge. To overcome this, we introduce E2Former-V2, a scalable architecture that integrates algebraic sparsity with hardware-aware execution. We first propose Equivariant Axis-Aligned Sparsification (EAAS). EAAS builds on Wigner-6j convolution by exploiting an SO(3) rightarrow SO(2) change of basis to transform computationally expensive dense tensor contractions into efficient, sparse parity re-indexing operations. Building on this representation, we introduce On-the-Fly Equivariant Attention, a fully node-centric mechanism implemented via a custom fused Triton kernel. By eliminating materialized edge tensors and maximizing SRAM utilization, our kernel achieves a 20times improvement in TFLOPS compared to standard implementations. Extensive experiments on the SPICE and OMol25 datasets demonstrate that E2Former-V2 maintains comparable predictive performance while notably accelerating inference. This work demonstrates that large equivariant transformers can be trained efficiently using widely accessible GPU platforms. The code is avalible at https://github.com/IQuestLab/UBio-MolFM/tree/e2formerv2.

The scalable solution of large sparse linear systems is a bottleneck in scientific computing and graph analysis. While algebraic multigrid (AMG) offers optimal linear scaling, its performance is severely constrained by the trade-off between the sparsity and convergence quality of coarse-grid operators. Classical AMG heuristics struggle to balance these objectives, often sacrificing stability or performance for sparsity. We propose RAPNet, a graph neural network (GNN) framework that resolves this trade-off by learning to generate sparse, robust coarse operators directly from the sparse algebraic system. Key to our approach is a level-wise training strategy that enables learning from small subgraphs and generalization to million-node domains, bypassing the bottlenecks of prior neural AMG attempts. RAPNet executes exclusively during the solver setup phase, ensuring that the solve phase retains its favorable computational properties. We show that our method outperforms classical non-Galerkin baselines on diverse PDE discretizations and graph Laplacians, making it particularly effective for multi-query tasks such as eigenproblems, time-dependent simulations, and inverse or design problems.

Quantization is a widely-used compression technology to reduce the overhead of serving large language models (LLMs) on terminal devices and in cloud data centers. However, prevalent quantization methods, such as 8-bit weight-activation or 4-bit weight-only quantization, achieve limited performance improvements due to poor support for low-precision (e.g., 4-bit) activation. This work, for the first time, realizes practical W4A4KV4 serving for LLMs, fully utilizing the INT4 tensor cores on modern GPUs and reducing the memory bottleneck caused by the KV cache. Specifically, we propose a novel fine-grained mixed-precision quantization algorithm (FMPQ) that compresses most activations into 4-bit with negligible accuracy loss. To support mixed-precision matrix multiplication for W4A4 and W4A8, we develop a highly optimized W4Ax kernel. Our approach introduces a novel mixed-precision data layout to facilitate access and fast dequantization for activation and weight tensors, utilizing the GPU's software pipeline to hide the overhead of data loading and conversion. Additionally, we propose fine-grained streaming multiprocessor (SM) scheduling to achieve load balance across different SMs. We integrate the optimized W4Ax kernel into our inference framework, COMET, and provide efficient management to support popular LLMs such as LLaMA-3-70B. Extensive evaluations demonstrate that, when running LLaMA family models on a single A100-80G-SMX4, COMET achieves a kernel-level speedup of 2.88times over cuBLAS and a 2.02 times throughput improvement compared to TensorRT-LLM from an end-to-end framework perspective.

Ray tracing has become a standard for accurate radio propagation modeling, but suffers from exponential computational complexity, as the number of candidate paths scales with the number of objects raised to the power of the interaction order. This bottleneck limits its use in large-scale or real-time applications, forcing traditional tools to rely on heuristics to reduce the number of path candidates at the cost of potentially reduced accuracy. To overcome this limitation, we propose a comprehensive machine-learning-assisted framework that replaces exhaustive path searching with intelligent sampling via Generative Flow Networks. Applying such generative models to this domain presents significant challenges, particularly sparse rewards due to the rarity of valid paths, which can lead to convergence failures and trivial solutions when evaluating high-order interactions in complex environments. To ensure robust learning and efficient exploration, our framework incorporates three key architectural components. First, we implement an experience replay buffer to capture and retain rare valid paths. Second, we adopt a uniform exploratory policy to improve generalization and prevent the model from overfitting to simple geometries. Third, we apply a physics-based action masking strategy that filters out physically impossible paths before the model even considers them. As demonstrated in our experimental validation, the proposed model achieves substantial speedups over exhaustive search -- up to 10times faster on GPU and 1000times faster on CPU -- while maintaining high coverage accuracy and successfully uncovering complex propagation paths. The complete source code, tests, and tutorial are available at https://github.com/jeertmans/sampling-paths.

In this paper, we delve into the foundational principles of tensor categories, harnessing the universal property of the tensor product to pioneer novel methodologies in deep network architectures. Our primary contribution is the introduction of the Tensor Attention and Tensor Interaction Mechanism, a groundbreaking approach that leverages the tensor category to enhance the computational efficiency and the expressiveness of deep networks, and can even be generalized into the quantum realm.

We present formulation and open-source tools to achieve in-material model predictive control of sensor/actuator systems using learned forward kinematics and on-device computation. Microcontroller units (MCUs) that compute the prediction and control task while colocated with the sensors and actuators enable in-material untethered behaviors. In this approach, small parameter size neural network models learn forward kinematics offline. Our open-source compiler, nn4mc, generates code to offload these predictions onto MCUs. A Newton-Raphson solver then computes the control input in real time. We first benchmark this nonlinear control approach against a PID controller on a mass-spring-damper simulation. We then study experimental results on two experimental rigs with different sensing, actuation and computational hardware: a tendon-based platform with embedded LightLace sensors and a HASEL-based platform with magnetic sensors. Experimental results indicate effective high-bandwidth tracking of reference paths (greater than or equal to 120 Hz) with a small memory footprint (less than or equal to 6.4% of flash memory). The measured path following error does not exceed 2mm in the tendon-based platform. The simulated path following error does not exceed 1mm in the HASEL-based platform. The mean power consumption of this approach in an ARM Cortex-M4f device is 45.4 mW. This control approach is also compatible with Tensorflow Lite models and equivalent on-device code. In-material intelligence enables a new class of composites that infuse autonomy into structures and systems with refined artificial proprioception.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

Vector Symbolic Architectures (VSAs) give a way to represent a complex object as a single fixed-length vector, so that similar objects have similar vector representations. These vector representations then become easy to use for machine learning or nearest-neighbor search. We review a previously proposed VSA method, MBAT (Matrix Binding of Additive Terms), which uses multiplication by random matrices for binding related terms. However, multiplying by such matrices introduces instabilities which can harm performance. Making the random matrices be orthogonal matrices provably fixes this problem. With respect to larger scale applications, we see how to apply MBAT vector representations for any data expressed in JSON. JSON is used in numerous programming languages to express complex data, but its native format appears highly unsuited for machine learning. Expressing JSON as a fixed-length vector makes it readily usable for machine learning and nearest-neighbor search. Creating such JSON vectors also shows that a VSA needs to employ binding operations that are non-commutative. VSAs are now ready to try with full-scale practical applications, including healthcare, pharmaceuticals, and genomics. Keywords: MBAT (Matrix Binding of Additive Terms), VSA (Vector Symbolic Architecture), HDC (Hyperdimensional Computing), Distributed Representations, Binding, Orthogonal Matrices, Recurrent Connections, Machine Learning, Search, JSON, VSA Applications

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

Shortcut models represent a promising, non-adversarial paradigm for generative modeling, uniquely supporting one-step, few-step, and multi-step sampling from a single trained network. However, their widespread adoption has been stymied by critical performance bottlenecks. This paper tackles the five core issues that held shortcut models back: (1) the hidden flaw of compounding guidance, which we are the first to formalize, causing severe image artifacts; (2) inflexible fixed guidance that restricts inference-time control; (3) a pervasive frequency bias driven by a reliance on low-level distances in the direct domain, which biases reconstructions toward low frequencies; (4) divergent self-consistency arising from a conflict with EMA training; and (5) curvy flow trajectories that impede convergence. To address these challenges, we introduce iSM, a unified training framework that systematically resolves each limitation. Our framework is built on four key improvements: Intrinsic Guidance provides explicit, dynamic control over guidance strength, resolving both compounding guidance and inflexibility. A Multi-Level Wavelet Loss mitigates frequency bias to restore high-frequency details. Scaling Optimal Transport (sOT) reduces training variance and learns straighter, more stable generative paths. Finally, a Twin EMA strategy reconciles training stability with self-consistency. Extensive experiments on ImageNet 256 x 256 demonstrate that our approach yields substantial FID improvements over baseline shortcut models across one-step, few-step, and multi-step generation, making shortcut models a viable and competitive class of generative models.

The loss functions of deep neural networks are complex and their geometric properties are not well understood. We show that the optima of these complex loss functions are in fact connected by simple curves over which training and test accuracy are nearly constant. We introduce a training procedure to discover these high-accuracy pathways between modes. Inspired by this new geometric insight, we also propose a new ensembling method entitled Fast Geometric Ensembling (FGE). Using FGE we can train high-performing ensembles in the time required to train a single model. We achieve improved performance compared to the recent state-of-the-art Snapshot Ensembles, on CIFAR-10, CIFAR-100, and ImageNet.

The Mixture-of-Experts (MoE) approach has demonstrated outstanding scalability in multi-task learning including low-level upstream tasks such as concurrent removal of multiple adverse weather effects. However, the conventional MoE architecture with parallel Feed Forward Network (FFN) experts leads to significant parameter and computational overheads that hinder its efficient deployment. In addition, the naive MoE linear router is suboptimal in assigning task-specific features to multiple experts which limits its further scalability. In this work, we propose an efficient MoE architecture with weight sharing across the experts. Inspired by the idea of linear feature modulation (FM), our architecture implicitly instantiates multiple experts via learnable activation modulations on a single shared expert block. The proposed Feature Modulated Expert (FME) serves as a building block for the novel Mixture-of-Feature-Modulation-Experts (MoFME) architecture, which can scale up the number of experts with low overhead. We further propose an Uncertainty-aware Router (UaR) to assign task-specific features to different FM modules with well-calibrated weights. This enables MoFME to effectively learn diverse expert functions for multiple tasks. The conducted experiments on the multi-deweather task show that our MoFME outperforms the baselines in the image restoration quality by 0.1-0.2 dB and achieves SOTA-compatible performance while saving more than 72% of parameters and 39% inference time over the conventional MoE counterpart. Experiments on the downstream segmentation and classification tasks further demonstrate the generalizability of MoFME to real open-world applications.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

LLMs have traditionally scaled along dense dimensions, where performance is coupled with near-linear increases in computational cost. While MoE decouples capacity from compute, it introduces large memory overhead and hardware efficiency challenges. To overcome these, we propose token-indexed parameters as a novel, orthogonal scaling axis that decouple model capacity from FLOPs. Specifically, we introduce Joint-Token (JTok) and Mixture of Joint-Token (JTok-M), which augment Transformer layers with modulation vectors retrieved from auxiliary embedding tables. These vectors modulate the backbone via lightweight, element-wise operations, incurring negligible FLOPs overhead. Extensive experiments on both dense and MoE backbones, spanning from 650M (190M + 460M embedding) to 61B (17B + 44B embedding) total parameters, demonstrate that our approach consistently reduces validation loss and significantly improves downstream task performance (e.g., +4.1 on MMLU, +8.3 on ARC, +8.9 on CEval). Rigorous isoFLOPs analysis further confirms that JTok-M fundamentally shifts the quality-compute Pareto frontier, achieving comparable model quality with 35% less compute relative to vanilla MoE architectures, and we validate that token-indexed parameters exhibit a predictable power-law scaling behavior. Moreover, our efficient implementation ensures that the overhead introduced by JTok and JTok-M remains marginal.

We propose Strivec, a novel neural representation that models a 3D scene as a radiance field with sparsely distributed and compactly factorized local tensor feature grids. Our approach leverages tensor decomposition, following the recent work TensoRF, to model the tensor grids. In contrast to TensoRF which uses a global tensor and focuses on their vector-matrix decomposition, we propose to utilize a cloud of local tensors and apply the classic CANDECOMP/PARAFAC (CP) decomposition to factorize each tensor into triple vectors that express local feature distributions along spatial axes and compactly encode a local neural field. We also apply multi-scale tensor grids to discover the geometry and appearance commonalities and exploit spatial coherence with the tri-vector factorization at multiple local scales. The final radiance field properties are regressed by aggregating neural features from multiple local tensors across all scales. Our tri-vector tensors are sparsely distributed around the actual scene surface, discovered by a fast coarse reconstruction, leveraging the sparsity of a 3D scene. We demonstrate that our model can achieve better rendering quality while using significantly fewer parameters than previous methods, including TensoRF and Instant-NGP.

Mixture-of-Experts (MoE) models are a promising way to scale up model capacity without significantly increasing computational cost. A key component of MoEs is the router, which decides which subset of parameters (experts) process which feature embeddings (tokens). In this paper, we present a comprehensive study of routers in MoEs for computer vision tasks. We introduce a unified MoE formulation that subsumes different MoEs with two parametric routing tensors. This formulation covers both sparse MoE, which uses a binary or hard assignment between experts and tokens, and soft MoE, which uses a soft assignment between experts and weighted combinations of tokens. Routers for sparse MoEs can be further grouped into two variants: Token Choice, which matches experts to each token, and Expert Choice, which matches tokens to each expert. We conduct head-to-head experiments with 6 different routers, including existing routers from prior work and new ones we introduce. We show that (i) many routers originally developed for language modeling can be adapted to perform strongly in vision tasks, (ii) in sparse MoE, Expert Choice routers generally outperform Token Choice routers, and (iii) soft MoEs generally outperform sparse MoEs with a fixed compute budget. These results provide new insights regarding the crucial role of routers in vision MoE models.

Computational materials discovery is limited by the high cost of first-principles calculations. Machine learning (ML) potentials that predict energies from crystal structures are promising, but existing methods face computational bottlenecks. Steerable graph neural networks (GNNs) encode geometry with spherical harmonics, respecting atomic symmetries -- permutation, rotation, and translation -- for physically realistic predictions. Yet maintaining equivariance is difficult: activation functions must be modified, and each layer must handle multiple data types for different harmonic orders. We present Facet, a GNN architecture for efficient ML potentials, developed through systematic analysis of steerable GNNs. Our innovations include replacing expensive multi-layer perceptrons (MLPs) for interatomic distances with splines, which match performance while cutting computational and memory demands. We also introduce a general-purpose equivariant layer that mixes node information via spherical grid projection followed by standard MLPs -- faster than tensor products and more expressive than linear or gate layers. On the MPTrj dataset, Facet matches leading models with far fewer parameters and under 10% of their training compute. On a crystal relaxation task, it runs twice as fast as MACE models. We further show SevenNet-0's parameters can be reduced by over 25% with no accuracy loss. These techniques enable more than 10x faster training of large-scale foundation models for ML potentials, potentially reshaping computational materials discovery.

Machine-learning interatomic potentials now approach quantum-mechanical accuracy on standard benchmarks, but the training cost of the most expressive equivariant architectures has become a serious bottleneck. We introduce DPA4, an SE(3)-equivariant interatomic-potential architecture with an EMFA (Edge-conditioned, Multi-Focus, Attention) SO(2)-equivariant convolution that combines a low-rank edge-node SO(2)-equivariant product, a multi-focus design for message nonlinearity, and envelope-gated attention for message aggregation. A Lebedev-grid projection further preserves SO(3)-equivariance in the nonlinearity to machine precision. A compiler-friendly conservative energy-gradient training path provides up to sim3 times wall-clock speedup under torch compile. On the compliant Matbench Discovery benchmark, DPA4-Pro attains the best Combined Performance Score (CPS) on the leaderboard, while the 2.76M-parameter DPA4-Air exceeds the accuracy of the 30.1M-parameter eSEN-30M-MP baseline with 10.9times fewer parameters and 42.9times less training compute. On SPICE-MACE-OFF, the 5.4M-parameter DPA4-Plus lowers the aggregate molecular energy and force errors of the 6.5M-parameter eSEN baseline by 29% and 30%, while the 2.7M-parameter DPA4-Air still surpasses that baseline with sim2.4times fewer parameters. Together these results place DPA4 on a new accuracy-cost Pareto frontier on Matbench Discovery and position it as a strong candidate backbone for future multi-task large atomistic model (LAM) pretraining.

We introduce Mirage Persistent Kernel (MPK), the first compiler and runtime system that automatically transforms multi-GPU model inference into a single high-performance megakernel. MPK introduces an SM-level graph representation that captures data dependencies at the granularity of individual streaming multiprocessors (SMs), enabling cross-operator software pipelining, fine-grained kernel overlap, and other previously infeasible GPU optimizations. The MPK compiler lowers tensor programs into highly optimized SM-level task graphs and generates optimized CUDA implementations for all tasks, while the MPK in-kernel parallel runtime executes these tasks within a single mega-kernel using decentralized scheduling across SMs. Together, these components provide end-to-end kernel fusion with minimal developer effort, while preserving the flexibility of existing programming models. Our evaluation shows that MPK significantly outperforms existing kernel-per-operator LLM serving systems by reducing end-to-end inference latency by up to 1.7x, pushing LLM inference performance close to hardware limits. MPK is publicly available at https://github.com/mirage-project/mirage.

Six-bit quantization (FP6) can effectively reduce the size of large language models (LLMs) and preserve the model quality consistently across varied applications. However, existing systems do not provide Tensor Core support for FP6 quantization and struggle to achieve practical performance improvements during LLM inference. It is challenging to support FP6 quantization on GPUs due to (1) unfriendly memory access of model weights with irregular bit-width and (2) high runtime overhead of weight de-quantization. To address these problems, we propose TC-FPx, the first full-stack GPU kernel design scheme with unified Tensor Core support of float-point weights for various quantization bit-width. We integrate TC-FPx kernel into an existing inference system, providing new end-to-end support (called FP6-LLM) for quantized LLM inference, where better trade-offs between inference cost and model quality are achieved. Experiments show that FP6-LLM enables the inference of LLaMA-70b using only a single GPU, achieving 1.69x-2.65x higher normalized inference throughput than the FP16 baseline. The source code will be publicly available soon.

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

In this paper, we introduce a mesh-free two-level hybrid Tucker tensor format for approximation of multivariate functions, which combines the product Chebyshev interpolation with the ALS-based Tucker decomposition of the tensor of Chebyshev coefficients. It allows to avoid the expenses of the rank-structured approximation of function-related tensors defined on large spacial grids, while benefiting from the Tucker decomposition of the rather small core tensor of Chebyshev coefficients. This leads to nearly optimal Tucker rank parameters which are close to the results for well established Tucker-ALS algorithm applied to the large grid-based tensors. These rank parameters inherited from the Tucker-ALS decomposition of the coefficient tensor can be much less than the polynomial degrees of the initial Chebyshev interpolant via function independent basis set. Furthermore, the tensor product Chebyshev polynomials discretized on a tensor grid leads to a low-rank two-level orthogonal algebraic Tucker tensor that approximates the initial function with controllable accuracy. It is shown that our techniques could be gainfully applied to the long-range part of the electrostatic potential of multi-particle systems approximated in the range-separated tensor format. Error and complexity estimates of the proposed methods are presented. We demonstrate the efficiency of the suggested method numerically on examples of the long-range components of multi-particle interaction potentials generated by 3D Newton kernel for large bio-molecule systems and lattice-type compounds.

Mixture of Experts (MoE) models enhance neural network scalability by dynamically selecting relevant experts per input token, enabling larger model sizes while maintaining manageable computation costs. However, efficient training of large-scale MoE models across thousands of GPUs presents significant challenges due to limitations in existing parallelism strategies. We introduce an end-to-end training framework for large-scale MoE models that utilizes five-dimensional hybrid parallelism: Tensor Parallelism, Expert Parallelism, Context Parallelism, Data Parallelism, and Pipeline Parallelism. Central to our approach is MoE Parallel Folding, a novel strategy that decouples the parallelization of attention and MoE layers in Transformer models, allowing each layer type to adopt optimal parallel configurations. Additionally, we develop a flexible token-level dispatcher that supports both token-dropping and token-dropless MoE training across all five dimensions of parallelism. This dispatcher accommodates dynamic tensor shapes and coordinates different parallelism schemes for Attention and MoE layers, facilitating complex parallelism implementations. Our experiments demonstrate significant improvements in training efficiency and scalability. We achieve up to 49.3% Model Flops Utilization (MFU) for the Mixtral 8x22B model and 39.0% MFU for the Qwen2-57B-A14B model on H100 GPUs, outperforming existing methods. The framework scales efficiently up to 1,024 GPUs and maintains high performance with sequence lengths up to 128K tokens, validating its effectiveness for large-scale MoE model training. The code is available in Megatron-Core.

Resource scheduling and allocation is a critical component of many high impact systems ranging from congestion control to cloud computing. Finding more optimal solutions to these problems often has significant impact on resource and time savings, reducing device wear-and-tear, and even potentially improving carbon emissions. In this paper, we focus on a specific instance of a scheduling problem, namely the memory mapping problem that occurs during compilation of machine learning programs: That is, mapping tensors to different memory layers to optimize execution time. We introduce an approach for solving the memory mapping problem using Reinforcement Learning. RL is a solution paradigm well-suited for sequential decision making problems that are amenable to planning, and combinatorial search spaces with high-dimensional data inputs. We formulate the problem as a single-player game, which we call the mallocGame, such that high-reward trajectories of the game correspond to efficient memory mappings on the target hardware. We also introduce a Reinforcement Learning agent, mallocMuZero, and show that it is capable of playing this game to discover new and improved memory mapping solutions that lead to faster execution times on real ML workloads on ML accelerators. We compare the performance of mallocMuZero to the default solver used by the Accelerated Linear Algebra (XLA) compiler on a benchmark of realistic ML workloads. In addition, we show that mallocMuZero is capable of improving the execution time of the recently published AlphaTensor matrix multiplication model.

Tensor networks are efficient representations of high-dimensional tensors which have been very successful for physics and mathematics applications. We demonstrate how algorithms for optimizing such networks can be adapted to supervised learning tasks by using matrix product states (tensor trains) to parameterize models for classifying images. For the MNIST data set we obtain less than 1% test set classification error. We discuss how the tensor network form imparts additional structure to the learned model and suggest a possible generative interpretation.

Model merging has emerged as a cost-effective approach for consolidating the capabilities of multiple LLMs without retraining. However, existing merging techniques, largely based on linear parameter arithmetic or optimization, struggle when applied to Mixture-of-Experts (MoE) architectures. We identify a critical failure mode in MoE merging, termed routing breakdown, in which the merged router fails to dispatch tokens to suitable experts. Routing breakdown stems from the sensitivity of the non-linear softmax and discrete Top-k routing mechanisms to parameter perturbations from merging, a sensitivity further amplified by load-balancing constraints imposed during MoE pretraining. Because fine-tuned experts exhibit distinct specializations, even modest misrouting can cause severe performance degradation. To address this issue, we propose Hessian-Aware Router Calibration (HARC), a training-free framework that leverages second-order curvature information to realign the merged router. This approach admits a closed-form solution that can be efficiently solved using a matrix-free conjugate gradient method. Experiments on mathematical reasoning and code generation tasks show that HARC effectively mitigates routing breakdown across diverse MoE merging baselines and leads to substantial performance improvements. Our code is available at https://github.com/huangcb01/HARC.

The NeuroEvolution of Augmenting Topologies (NEAT) algorithm has received considerable recognition in the field of neuroevolution. Its effectiveness is derived from initiating with simple networks and incrementally evolving both their topologies and weights. Although its capability across various challenges is evident, the algorithm's computational efficiency remains an impediment, limiting its scalability potential. In response, this paper introduces a tensorization method for the NEAT algorithm, enabling the transformation of its diverse network topologies and associated operations into uniformly shaped tensors for computation. This advancement facilitates the execution of the NEAT algorithm in a parallelized manner across the entire population. Furthermore, we develop TensorNEAT, a library that implements the tensorized NEAT algorithm and its variants, such as CPPN and HyperNEAT. Building upon JAX, TensorNEAT promotes efficient parallel computations via automated function vectorization and hardware acceleration. Moreover, the TensorNEAT library supports various benchmark environments including Gym, Brax, and gymnax. Through evaluations across a spectrum of robotics control environments in Brax, TensorNEAT achieves up to 500x speedups compared to the existing implementations such as NEAT-Python. Source codes are available at: https://github.com/EMI-Group/tensorneat.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

We revisit the one-shot Neural Architecture Search (NAS) paradigm and analyze its advantages over existing NAS approaches. Existing one-shot method, however, is hard to train and not yet effective on large scale datasets like ImageNet. This work propose a Single Path One-Shot model to address the challenge in the training. Our central idea is to construct a simplified supernet, where all architectures are single paths so that weight co-adaption problem is alleviated. Training is performed by uniform path sampling. All architectures (and their weights) are trained fully and equally. Comprehensive experiments verify that our approach is flexible and effective. It is easy to train and fast to search. It effortlessly supports complex search spaces (e.g., building blocks, channel, mixed-precision quantization) and different search constraints (e.g., FLOPs, latency). It is thus convenient to use for various needs. It achieves start-of-the-art performance on the large dataset ImageNet.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Sparse Mixture-of-Experts (MoE) architectures employ increasingly sophisticated routing mechanisms -- learned routers, multi-hop trajectories, token-dependent gating. We ask: does routing topology actually determine language modeling quality? We build a geometric MoE (ST-MoE) using cosine-similarity routing against learned centroids in a low-dimensional space (d_{space} = 64), requiring 80% fewer routing parameters than standard linear routers. Through 62 controlled experiments on WikiText-103 at 76--84M parameters trained to convergence (50K steps, 1.64B tokens), we find that routing topology does not determine asymptotic perplexity (PPL): five cosine-routing variants are statistically equivalent within a 1-PPL margin (Two One-Sided Tests [TOST], p < 0.05 for all 10 pairwise comparisons; 15 runs across 3 seeds, observed range 33.93--34.72). The finding extends to hash, random-fixed, and top-1 routing (single-seed; graceful 1.1--2.2 PPL degradation) and replicates on OpenWebText (0.03 PPL gap, 6 runs, 3 seeds each). A standard linear router with 5.3times more routing parameters reaches PPL 32.76, but iso-parameter cosine routing closes 67% of this gap -- the true mechanism advantage is sim1.2%. The mechanistic explanation is convergent redundancy: multi-hop updates are collinear (cos(Δh_0, Δh_1) = 0.805), implementing magnitude amplification rather than compositional reasoning; a single learnable scalar replicates multi-hop performance. As a practical payoff, zero-shot relative-norm halting saves 25% of MoE FLOPs at +0.12% PPL. Expert-level specialization and causal controllability -- which coexist with topology-level equifinality -- are explored in a companion paper.

Recently, Mixture-of-Experts (short as MoE) architecture has achieved remarkable success in increasing the model capacity of large-scale language models. However, MoE requires incorporating significantly more parameters than the base model being extended. In this paper, we propose building a parameter-efficient MoE architecture by sharing information among experts. We adopt the matrix product operator (MPO, a tensor decomposition from quantum many-body physics) to reconstruct the parameter matrix in the expert layer and increase model capacity for pre-trained language models by sharing parameters of the central tensor (containing the core information) among different experts while enabling the specificity through the auxiliary tensors (complementing the central tensor) of different experts. To address the unbalanced optimization issue, we further design the gradient mask strategy for the MPO-based MoE architecture. Extensive experiments based on T5 and GPT-2 show improved performance and efficiency of the pre-trained language model (27.2x reduction in total parameters for the superior model performance, compared with the Switch Transformers). Our code is publicly available at https://github.com/RUCAIBox/MPOE.

Vector graphics are widely used in digital art and highly favored by designers due to their scalability and layer-wise properties. However, the process of creating and editing vector graphics requires creativity and design expertise, making it a time-consuming task. Recent advancements in text-to-vector (T2V) generation have aimed to make this process more accessible. However, existing T2V methods directly optimize control points of vector graphics paths, often resulting in intersecting or jagged paths due to the lack of geometry constraints. To overcome these limitations, we propose a novel neural path representation by designing a dual-branch Variational Autoencoder (VAE) that learns the path latent space from both sequence and image modalities. By optimizing the combination of neural paths, we can incorporate geometric constraints while preserving expressivity in generated SVGs. Furthermore, we introduce a two-stage path optimization method to improve the visual and topological quality of generated SVGs. In the first stage, a pre-trained text-to-image diffusion model guides the initial generation of complex vector graphics through the Variational Score Distillation (VSD) process. In the second stage, we refine the graphics using a layer-wise image vectorization strategy to achieve clearer elements and structure. We demonstrate the effectiveness of our method through extensive experiments and showcase various applications. The project page is https://intchous.github.io/T2V-NPR.

Modern diffusion/flow-based models for image generation typically exhibit two core characteristics: (i) using multi-step sampling, and (ii) operating in a latent space. Recent advances have made encouraging progress on each aspect individually, paving the way toward one-step diffusion/flow without latents. In this work, we take a further step towards this goal and propose "pixel MeanFlow" (pMF). Our core guideline is to formulate the network output space and the loss space separately. The network target is designed to be on a presumed low-dimensional image manifold (i.e., x-prediction), while the loss is defined via MeanFlow in the velocity space. We introduce a simple transformation between the image manifold and the average velocity field. In experiments, pMF achieves strong results for one-step latent-free generation on ImageNet at 256x256 resolution (2.22 FID) and 512x512 resolution (2.48 FID), filling a key missing piece in this regime. We hope that our study will further advance the boundaries of diffusion/flow-based generative models.

Multi-task learning (MTL) is an inductive transfer mechanism designed to leverage useful information from multiple tasks to improve generalization performance compared to single-task learning. It has been extensively explored in traditional machine learning to address issues such as data sparsity and overfitting in neural networks. In this work, we apply MTL to problems in science and engineering governed by partial differential equations (PDEs). However, implementing MTL in this context is complex, as it requires task-specific modifications to accommodate various scenarios representing different physical processes. To this end, we present a multi-task deep operator network (MT-DeepONet) to learn solutions across various functional forms of source terms in a PDE and multiple geometries in a single concurrent training session. We introduce modifications in the branch network of the vanilla DeepONet to account for various functional forms of a parameterized coefficient in a PDE. Additionally, we handle parameterized geometries by introducing a binary mask in the branch network and incorporating it into the loss term to improve convergence and generalization to new geometry tasks. Our approach is demonstrated on three benchmark problems: (1) learning different functional forms of the source term in the Fisher equation; (2) learning multiple geometries in a 2D Darcy Flow problem and showcasing better transfer learning capabilities to new geometries; and (3) learning 3D parameterized geometries for a heat transfer problem and demonstrate the ability to predict on new but similar geometries. Our MT-DeepONet framework offers a novel approach to solving PDE problems in engineering and science under a unified umbrella based on synergistic learning that reduces the overall training cost for neural operators.

Evolutionary multiobjective optimization (EMO) has made significant strides over the past two decades. However, as problem scales and complexities increase, traditional EMO algorithms face substantial performance limitations due to insufficient parallelism and scalability. While most work has focused on algorithm design to address these challenges, little attention has been given to hardware acceleration, thereby leaving a clear gap between EMO algorithms and advanced computing devices, such as GPUs. To bridge the gap, we propose to parallelize EMO algorithms on GPUs via the tensorization methodology. By employing tensorization, the data structures and operations of EMO algorithms are transformed into concise tensor representations, which seamlessly enables automatic utilization of GPU computing. We demonstrate the effectiveness of our approach by applying it to three representative EMO algorithms: NSGA-III, MOEA/D, and HypE. To comprehensively assess our methodology, we introduce a multiobjective robot control benchmark using a GPU-accelerated physics engine. Our experiments show that the tensorized EMO algorithms achieve speedups of up to 1113x compared to their CPU-based counterparts, while maintaining solution quality and effectively scaling population sizes to hundreds of thousands. Furthermore, the tensorized EMO algorithms efficiently tackle complex multiobjective robot control tasks, producing high-quality solutions with diverse behaviors. Source codes are available at https://github.com/EMI-Group/evomo.

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73times (1.46times on average) on an A100 GPU and up to 2.68times (1.51times) on a V100 GPU, respectively.

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be SO(3) equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the SO(3) convolutions or tensor products to mathematically equivalent convolutions in SO(2) . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from O(L^6) to O(L^3), where L is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.

Image coding for multi-task applications, catering to both human perception and machine vision, has been extensively investigated. Existing methods often rely on multiple task-specific encoder-decoder pairs, leading to high overhead of parameter and bitrate usage, or face challenges in multi-objective optimization under a unified representation, failing to achieve both performance and efficiency. To this end, we propose Multi-Path Aggregation (MPA) integrated into existing coding models for joint human-machine vision, unifying the feature representation with an all-in-one architecture. MPA employs a predictor to allocate latent features among task-specific paths based on feature importance varied across tasks, maximizing the utility of shared features while preserving task-specific features for subsequent refinement. Leveraging feature correlations, we develop a two-stage optimization strategy to alleviate multi-task performance degradation. Upon the reuse of shared features, as low as 1.89% parameters are further augmented and fine-tuned for a specific task, which completely avoids extensive optimization of the entire model. Experimental results show that MPA achieves performance comparable to state-of-the-art methods in both task-specific and multi-objective optimization across human viewing and machine analysis tasks. Moreover, our all-in-one design supports seamless transitions between human- and machine-oriented reconstruction, enabling task-controllable interpretation without altering the unified model. Code is available at https://github.com/NJUVISION/MPA.

Dense linear layers are the dominant computational bottleneck in foundation models. Identifying more efficient alternatives to dense matrices has enormous potential for building more compute-efficient models, as exemplified by the success of convolutional networks in the image domain. In this work, we systematically explore structured matrices as replacements for dense matrices. We show that different structures often require drastically different initialization scales and learning rates, which are crucial to performance, especially as models scale. Using insights from the Maximal Update Parameterization, we determine the optimal scaling for initialization and learning rates of these unconventional layers. Finally, we measure the scaling laws of different structures to compare how quickly their performance improves with compute. We propose a novel matrix family containing Monarch matrices, the Block Tensor-Train (BTT), which we show performs better than dense matrices for the same compute on multiple tasks. On CIFAR-10/100 with augmentation, BTT achieves exponentially lower training loss than dense when training MLPs and ViTs. BTT matches dense ViT-S/32 performance on ImageNet-1k with 3.8 times less compute and is more efficient than dense for training small GPT-2 language models.

We provide a full characterisation of all of the possible group equivariant neural networks whose layers are some tensor power of R^{n} for three symmetry groups that are missing from the machine learning literature: O(n), the orthogonal group; SO(n), the special orthogonal group; and Sp(n), the symplectic group. In particular, we find a spanning set of matrices for the learnable, linear, equivariant layer functions between such tensor power spaces in the standard basis of R^{n} when the group is O(n) or SO(n), and in the symplectic basis of R^{n} when the group is Sp(n).

In this work, we present a simple, highly efficient and modularized Dual Path Network (DPN) for image classification which presents a new topology of connection paths internally. By revealing the equivalence of the state-of-the-art Residual Network (ResNet) and Densely Convolutional Network (DenseNet) within the HORNN framework, we find that ResNet enables feature re-usage while DenseNet enables new features exploration which are both important for learning good representations. To enjoy the benefits from both path topologies, our proposed Dual Path Network shares common features while maintaining the flexibility to explore new features through dual path architectures. Extensive experiments on three benchmark datasets, ImagNet-1k, Places365 and PASCAL VOC, clearly demonstrate superior performance of the proposed DPN over state-of-the-arts. In particular, on the ImagNet-1k dataset, a shallow DPN surpasses the best ResNeXt-101(64x4d) with 26% smaller model size, 25% less computational cost and 8% lower memory consumption, and a deeper DPN (DPN-131) further pushes the state-of-the-art single model performance with about 2 times faster training speed. Experiments on the Places365 large-scale scene dataset, PASCAL VOC detection dataset, and PASCAL VOC segmentation dataset also demonstrate its consistently better performance than DenseNet, ResNet and the latest ResNeXt model over various applications.

Progress in machine learning (ML) has been fueled by scaling neural network models. This scaling has been enabled by ever more heroic feats of engineering, necessary for accommodating ML approaches that require high bandwidth communication between devices working in parallel. In this work, we propose a co-designed modular architecture and training approach for ML models, dubbed DIstributed PAth COmposition (DiPaCo). During training, DiPaCo distributes computation by paths through a set of shared modules. Together with a Local-SGD inspired optimization (DiLoCo) that keeps modules in sync with drastically reduced communication, Our approach facilitates training across poorly connected and heterogeneous workers, with a design that ensures robustness to worker failures and preemptions. At inference time, only a single path needs to be executed for each input, without the need for any model compression. We consider this approach as a first prototype towards a new paradigm of large-scale learning, one that is less synchronous and more modular. Our experiments on the widely used C4 benchmark show that, for the same amount of training steps but less wall-clock time, DiPaCo exceeds the performance of a 1 billion-parameter dense transformer language model by choosing one of 256 possible paths, each with a size of 150 million parameters.

Vision Transformers (ViTs) are normally regarded as a stack of transformer layers. In this work, we propose a novel view of ViTs showing that they can be seen as ensemble networks containing multiple parallel paths with different lengths. Specifically, we equivalently transform the traditional cascade of multi-head self-attention (MSA) and feed-forward network (FFN) into three parallel paths in each transformer layer. Then, we utilize the identity connection in our new transformer form and further transform the ViT into an explicit multi-path ensemble network. From the new perspective, these paths perform two functions: the first is to provide the feature for the classifier directly, and the second is to provide the lower-level feature representation for subsequent longer paths. We investigate the influence of each path for the final prediction and discover that some paths even pull down the performance. Therefore, we propose the path pruning and EnsembleScale skills for improvement, which cut out the underperforming paths and re-weight the ensemble components, respectively, to optimize the path combination and make the short paths focus on providing high-quality representation for subsequent paths. We also demonstrate that our path combination strategies can help ViTs go deeper and act as high-pass filters to filter out partial low-frequency signals. To further enhance the representation of paths served for subsequent paths, self-distillation is applied to transfer knowledge from the long paths to the short paths. This work calls for more future research to explain and design ViTs from new perspectives.

The computing cost and memory demand of deep learning pipelines have grown fast in recent years and thus a variety of pruning techniques have been developed to reduce model parameters. The majority of these techniques focus on reducing inference costs by pruning the network after a pass of full training. A smaller number of methods address the reduction of training costs, mostly based on compressing the network via low-rank layer factorizations. Despite their efficiency for linear layers, these methods fail to effectively handle convolutional filters. In this work, we propose a low-parametric training method that factorizes the convolutions into tensor Tucker format and adaptively prunes the Tucker ranks of the convolutional kernel during training. Leveraging fundamental results from geometric integration theory of differential equations on tensor manifolds, we obtain a robust training algorithm that provably approximates the full baseline performance and guarantees loss descent. A variety of experiments against the full model and alternative low-rank baselines are implemented, showing that the proposed method drastically reduces the training costs, while achieving high performance, comparable to or better than the full baseline, and consistently outperforms competing low-rank approaches.

This work presents a systematic investigation into the latent knowledge encoded within Network Foundation Models (NFMs) that focuses on hidden representations analysis rather than pure downstream task performance. Different from existing efforts, we analyze the models through a three-part evaluation: Embedding Geometry Analysis to assess representation space utilization, Metric Alignment Assessment to measure correspondence with domain-expert features, and Causal Sensitivity Testing to evaluate robustness to protocol perturbations. Using five diverse network datasets spanning controlled and real-world environments, we evaluate four state-of-the-art NFMs, revealing that they all exhibit significant anisotropy, inconsistent feature sensitivity patterns, an inability to separate the high-level context, payload dependency, and other properties. Our work identifies numerous limitations across all models and demonstrates that addressing them can significantly improve model performance (by up to +0.35 F_1 score without architectural changes).

Tabular foundation models (TFMs) increasingly rival tree ensembles, but their performance is often compute-inefficient: with standard affine scalar tokenization, each feature injects value variation through an essentially one-dimensional channel, and feature IDs/positional signals cannot increase within-feature value degrees of freedom, yielding weak early-layer value sensitivity and redundant hidden states. We present a unified tokenize-and-route framework for strong TFMs: RaBEL expands each scalar into compact localized RBF features (optionally exponent-gated) to improve conditioning and shallow-layer effective rank, while a reordered bidirectional block SrightarrowNrightarrowF aligns computation with the readout by aggregating cross-sample context before feature mixing and using attention pooling. Together, these changes yield LimiX-2M, a 2M-parameter model that outperforms larger TabPFN-v2 and TabICL baselines on widely used tabular benchmarks while reducing training and inference costs. These results highlight value-aware tokenization and readout-aligned routing as key levers for improving the accuracy--efficiency trade-off in TFMs. Model checkpoints and inference code are available at https://github.com/limix-ldm-ai/LimiX.

Tuning tensor program generation involves searching for various possible program transformation combinations for a given program on target hardware to optimize the tensor program execution. It is already a complex process because of the massive search space and exponential combinations of transformations make auto-tuning tensor program generation more challenging, especially when we have a heterogeneous target. In this research, we attempt to address these problems by learning the joint neural network and hardware features and transferring them to the new target hardware. We extensively study the existing state-of-the-art dataset, TenSet, perform comparative analysis on the test split strategies and propose methodologies to prune the dataset. We adopt an attention-inspired approach for tuning the tensor programs enabling them to embed neural network and hardware-specific features. Our approach could prune the dataset up to 45\% of the baseline without compromising the Pairwise Comparison Accuracy (PCA). Further, the proposed methodology can achieve on-par or improved mean inference time with 25%-40% of the baseline tuning time across different networks and target hardware.

With the growing scale and complexity of video data, efficiently processing long video sequences poses significant challenges due to the quadratic increase in memory and computational demands associated with existing transformer-based Large Multi-modal Models (LMMs). To address these issues, we introduce Video-Ma^2mba, a novel architecture that incorporates State Space Models (SSMs) within the Mamba-2 framework, replacing the attention mechanisms. This allows the LMMs to scale linearly in terms of time and memory requirements, making it feasible to handle long-duration video content. Furthermore, we enhance the memory efficiency introducing the Multi-Axis Gradient Checkpointing (MA-GC) method, which strategically manages memory by retaining only essential activations across multiple computational axes. Our approach significantly reduces the memory footprint compared to standard gradient checkpointing. Empirical analyses show that Video-Ma^2mba can process extensive video sequences-equivalent to millions of tokens or over two hours of continuous sequences at 1 FPS-on a single GPU. By maintaining a detailed capture of temporal dynamics, our model improves the accuracy and relevance of responses in long video understanding tasks, demonstrating substantial advantages over existing frameworks.

MeanFlow (MF) has recently been established as a framework for one-step generative modeling. However, its ``fastforward'' nature introduces key challenges in both the training objective and the guidance mechanism. First, the original MF's training target depends not only on the underlying ground-truth fields but also on the network itself. To address this issue, we recast the objective as a loss on the instantaneous velocity v, re-parameterized by a network that predicts the average velocity u. Our reformulation yields a more standard regression problem and improves the training stability. Second, the original MF fixes the classifier-free guidance scale during training, which sacrifices flexibility. We tackle this issue by formulating guidance as explicit conditioning variables, thereby retaining flexibility at test time. The diverse conditions are processed through in-context conditioning, which reduces model size and benefits performance. Overall, our improved MeanFlow (iMF) method, trained entirely from scratch, achieves 1.72 FID with a single function evaluation (1-NFE) on ImageNet 256times256. iMF substantially outperforms prior methods of this kind and closes the gap with multi-step methods while using no distillation. We hope our work will further advance fastforward generative modeling as a stand-alone paradigm.

Every Cartesian three-dimensional PDE solver hides a structural secret that production CFD codes have used for half a century and that graduate-level textbooks rarely state plainly. The derivative matrices, the compact Padé line solves, the Galerkin mass inversions, the alternating-direction-implicit substeps, and even the fast Poisson and Helmholtz diagonalization transforms all factor along the coordinate axes and collapse into repeated one-dimensional banded kernels executed along the grid lines. The three-dimensional operator exists only on paper; it is never assembled, factored, or stored. This paper is the manual for that collapse. We derive the Kronecker-product algebra that makes it exact, carry it cleanly through central differences, compact schemes, tensor-product Galerkin, B-spline and isogeometric methods, collocation, ADI time stepping, and direct Poisson and Helmholtz solves, and bring into the open the three production tricks that turn the reduction into hardware-conscious floating-point throughput on real machines: the multi-right-hand-side reshape that exposes a sweep as one batched line kernel (a dense BLAS-3 GEMM when the line factor is dense or element-local, a banded or stencil kernel when it is not), the sum factorization that rescues high-order Galerkin from the O(p^{2d}) quadrature trap, and the pencil decomposition that keeps every direction contiguous across an MPI cluster. For fixed stencil width or fixed polynomial degree, the compute cost stays O(N) in the total number of unknowns N = N_x N_y N_z; the operator storage drops to O(N_x + N_y + N_z) up to bandwidth constants; direct separable Poisson and Helmholtz solvers add the expected transform cost; the line kernels are embarrassingly parallel. These facts are familiar to practitioners but rarely assembled in one place; this paper collects them and shows how to use them.

Neural Network designs are quite diverse, from VGG-style to ResNet-style, and from Convolutional Neural Networks to Transformers. Towards the design of efficient accelerators, many works have adopted a dataflow-based, inter-layer pipelined architecture, with a customised hardware towards each layer, achieving ultra high throughput and low latency. The deployment of neural networks to such dataflow architecture accelerators is usually hindered by the available on-chip memory as it is desirable to preload the weights of neural networks on-chip to maximise the system performance. To address this, networks are usually compressed before the deployment through methods such as pruning, quantization and tensor decomposition. In this paper, a framework for mapping CNNs onto FPGAs based on a novel tensor decomposition method called Mixed-TD is proposed. The proposed method applies layer-specific Singular Value Decomposition (SVD) and Canonical Polyadic Decomposition (CPD) in a mixed manner, achieving 1.73x to 10.29x throughput per DSP to state-of-the-art CNNs. Our work is open-sourced: https://github.com/Yu-Zhewen/Mixed-TD

k-Clustering in R^d (e.g., k-median and k-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality n, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for k-clustering in R^d with O(nkd^{3/2}) query complexity. Our coreset reduces the input size from n to poly(kepsilon^{-1}d), so that existing alpha-approximation algorithms for clustering can run on top of it and yield (1 + epsilon)alpha-approximation. This eventually yields a quadratic speedup for various k-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make Omega(nk) queries in order to achieve even O(1)-approximation for k-clustering.

The K-core of a graph is the unique maximum subgraph within which each vertex connects to K or more other vertices. The optimal K-core attack problem asks to delete the minimum number of vertices from the K-core to induce its complete collapse. A hierarchical cycle-tree packing model is introduced here for this challenging combinatorial optimization problem. We convert the temporally long-range correlated K-core pruning dynamics into locally tree-like static patterns and analyze this model through the replica-symmetric cavity method of statistical physics. A set of coarse-grained belief propagation equations are derived to predict single vertex marginal probabilities efficiently. The associated hierarchical cycle-tree guided attack ({\tt hCTGA}) algorithm is able to construct nearly optimal attack solutions for regular random graphs and Erd\"os-R\'enyi random graphs. Our cycle-tree packing model may also be helpful for constructing optimal initial conditions for other irreversible dynamical processes on sparse random graphs.

The NeuroEvolution of Augmenting Topologies (NEAT) algorithm has received considerable recognition in the field of neuroevolution. Its effectiveness is derived from initiating with simple networks and incrementally evolving both their topologies and weights. Although its capability across various challenges is evident, the algorithm's computational efficiency remains an impediment, limiting its scalability potential. To address these limitations, this paper introduces TensorNEAT, a GPU-accelerated library that applies tensorization to the NEAT algorithm. Tensorization reformulates NEAT's diverse network topologies and operations into uniformly shaped tensors, enabling efficient parallel execution across entire populations. TensorNEAT is built upon JAX, leveraging automatic function vectorization and hardware acceleration to significantly enhance computational efficiency. In addition to NEAT, the library supports variants such as CPPN and HyperNEAT, and integrates with benchmark environments like Gym, Brax, and gymnax. Experimental evaluations across various robotic control environments in Brax demonstrate that TensorNEAT delivers up to 500x speedups compared to existing implementations, such as NEAT-Python. The source code for TensorNEAT is publicly available at: https://github.com/EMI-Group/tensorneat.

Mixture of Block Attention (MoBA) (Lu et al., 2025) is a promising building block for efficiently processing long contexts in LLMs by enabling queries to sparsely attend to a small subset of key-value blocks, drastically reducing computational cost. However, the design principles governing MoBA's performance are poorly understood, and it lacks an efficient GPU implementation, hindering its practical adoption. In this paper, we first develop a statistical model to analyze MoBA's underlying mechanics. Our model reveals that performance critically depends on the router's ability to accurately distinguish relevant from irrelevant blocks based on query-key affinities. We derive a signal-to-noise ratio that formally connects architectural parameters to this retrieval accuracy. Guided by our analysis, we identify two key pathways for improvement: using smaller block sizes and applying a short convolution on keys to cluster relevant signals, which enhances routing accuracy. While theoretically better, small block sizes are inefficient on GPUs. To bridge this gap, we introduce FlashMoBA, a hardware-aware CUDA kernel that enables efficient MoBA execution even with the small block sizes our theory recommends. We validate our insights by training LLMs from scratch, showing that our improved MoBA models match the performance of dense attention baselines. FlashMoBA achieves up to 14.7x speedup over FlashAttention-2 for small blocks, making our theoretically-grounded improvements practical. Code is available at: https://github.com/mit-han-lab/flash-moba.

The Muon optimizer has received considerable attention for its strong performance in training large language models, yet the design principle behind its matrix-gradient orthogonalization remains largely elusive. In this paper, we introduce a surrogate model that not only sheds new light on the design of Muon, but more importantly leads to a new optimizer. In the same spirit as the derivation of Newton's method, the surrogate approximates the loss as a quadratic function of the perturbation to a weight matrix W using only three matrices: the gradient G, an output-space curvature matrix H, and the data matrix Z that stacks the layer inputs. By minimizing this surrogate in one step and adopting a certain isotropic assumption on the weights, we obtain the closed-form update rule (up to momentum and weight decay) W leftarrow W - ηcdot msgn(G(ZZ^top)^{-1}), where η is the learning rate and msgn(X)=UV^top if X=USV^top is a compact singular value decomposition. This new optimization method, which we refer to as Newton-Muon, shows that standard Muon can be interpreted as an implicit Newton-type method that neglects the right preconditioning induced by the input second moment. Empirically, on a reproduction of the earliest publicly released Modded-NanoGPT speedrun configuration using Muon for GPT-2 pretraining, Newton-Muon reaches the target validation loss in 6\% fewer iteration steps and reduces wall-clock training time by about 4\%.

State-space model releases are typically coupled to fused CUDA and Triton kernels, inheriting a hard dependency on NVIDIA hardware. We show that Mamba-2's state space duality algorithm -- diagonal state structure, chunkable recurrence, and einsum-dominated compute with static control flow -- maps cleanly onto what XLA's fusion and tiling passes actually optimise, making custom kernels optional rather than required. We implement the full inference path (prefill, cached autoregressive decoding) as shaped standard primitives under XLA, without hand-written kernels, and realise the architecture's theoretical O(1) state management as a compiled on-device cache requiring no host synchronisation during generation. The implementation runs unmodified on CPU, NVIDIA GPU, and Google Cloud TPU from a single JAX source. On TPU v6e across five model scales (130M--2.7B parameters), XLA-generated code reaches approximately 140 TFLOPS on single-stream prefill (15% MFU) and up to 64% bandwidth utilisation on decode. Greedy decoding matches the PyTorch/CUDA reference token-for-token across 64 steps, with hidden-state agreement within float32 rounding tolerance. The pattern transfers to any SSM recurrence satisfying the same structural conditions, on any platform with a mature XLA backend. The implementation is publicly available at https://github.com/CosmoNaught/mamba2-jax and merged into the Bonsai JAX model library.

We propose SMMF (Square-Matricized Momentum Factorization), a memory-efficient optimizer that reduces the memory requirement of the widely used adaptive learning rate optimizers, such as Adam, by up to 96%. SMMF enables flexible and efficient factorization of an arbitrary rank (shape) of the first and second momentum tensors during optimization, based on the proposed square-matricization and one-time single matrix factorization. From this, it becomes effectively applicable to any rank (shape) of momentum tensors, i.e., bias, matrix, and any rank-d tensors, prevalent in various deep model architectures, such as CNNs (high rank) and Transformers (low rank), in contrast to existing memory-efficient optimizers that applies only to a particular (rank-2) momentum tensor, e.g., linear layers. We conduct a regret bound analysis of SMMF, which shows that it converges similarly to non-memory-efficient adaptive learning rate optimizers, such as AdamNC, providing a theoretical basis for its competitive optimization capability. In our experiment, SMMF takes up to 96% less memory compared to state-of-the-art memory efficient optimizers, e.g., Adafactor, CAME, and SM3, while achieving comparable model performance on various CNN and Transformer tasks.

Global dependency modeling and spatial position modeling are two core issues of the foundational architecture design in current deep learning frameworks. Recently, Vision Transformers (ViTs) have achieved remarkable success in computer vision, leveraging the powerful global dependency modeling capability of the self-attention mechanism. Furthermore, Mamba2 has demonstrated its significant potential in natural language processing tasks by explicitly modeling the spatial adjacency prior through the structured mask. In this paper, we propose Polyline Path Masked Attention (PPMA) that integrates the self-attention mechanism of ViTs with an enhanced structured mask of Mamba2, harnessing the complementary strengths of both architectures. Specifically, we first ameliorate the traditional structured mask of Mamba2 by introducing a 2D polyline path scanning strategy and derive its corresponding structured mask, polyline path mask, which better preserves the adjacency relationships among image tokens. Notably, we conduct a thorough theoretical analysis on the structural characteristics of the proposed polyline path mask and design an efficient algorithm for the computation of the polyline path mask. Next, we embed the polyline path mask into the self-attention mechanism of ViTs, enabling explicit modeling of spatial adjacency prior. Extensive experiments on standard benchmarks, including image classification, object detection, and segmentation, demonstrate that our model outperforms previous state-of-the-art approaches based on both state-space models and Transformers. For example, our proposed PPMA-T/S/B models achieve 48.7%/51.1%/52.3% mIoU on the ADE20K semantic segmentation task, surpassing RMT-T/S/B by 0.7%/1.3%/0.3%, respectively. Code is available at https://github.com/zhongchenzhao/PPMA.

Continuous-space video generation has advanced rapidly, while discrete approaches lag behind due to error accumulation and long-context inconsistency. In this work, we revisit discrete generative modeling and present Uniform discRete diffuSion with metric pAth (URSA), a simple yet powerful framework that bridges the gap with continuous approaches for the scalable video generation. At its core, URSA formulates the video generation task as an iterative global refinement of discrete spatiotemporal tokens. It integrates two key designs: a Linearized Metric Path and a Resolution-dependent Timestep Shifting mechanism. These designs enable URSA to scale efficiently to high-resolution image synthesis and long-duration video generation, while requiring significantly fewer inference steps. Additionally, we introduce an asynchronous temporal fine-tuning strategy that unifies versatile tasks within a single model, including interpolation and image-to-video generation. Extensive experiments on challenging video and image generation benchmarks demonstrate that URSA consistently outperforms existing discrete methods and achieves performance comparable to state-of-the-art continuous diffusion methods. Code and models are available at https://github.com/baaivision/URSA

Significant recent work has studied the ability of gradient descent to recover a hidden planted direction θ^star in S^{d-1} in different high-dimensional settings, including tensor PCA and single-index models. The key quantity that governs the ability of gradient descent to traverse these landscapes is the information exponent k^star (Ben Arous et al., (2021)), which corresponds to the order of the saddle at initialization in the population landscape. Ben Arous et al., (2021) showed that n gtrsim d^{max(1, k^star-1)} samples were necessary and sufficient for online SGD to recover θ^star, and Ben Arous et al., (2020) proved a similar lower bound for Langevin dynamics. More recently, Damian et al., (2023) showed it was possible to circumvent these lower bounds by running gradient descent on a smoothed landscape, and that this algorithm succeeds with n gtrsim d^{max(1, k^star/2)} samples, which is optimal in the worst case. This raises the question of whether it is possible to achieve the same rate without explicit smoothing. In this paper, we show that Langevin dynamics can succeed with n gtrsim d^{ k^star/2 } samples if one considers the average iterate, rather than the last iterate. The key idea is that the combination of noise-injection and iterate averaging is able to emulate the effect of landscape smoothing. We apply this result to both the tensor PCA and single-index model settings. Finally, we conjecture that minibatch SGD can also achieve the same rate without adding any additional noise.

Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.

In this paper, we introduce MK-UNet, a paradigm shift towards ultra-lightweight, multi-kernel U-shaped CNNs tailored for medical image segmentation. Central to MK-UNet is the multi-kernel depth-wise convolution block (MKDC) we design to adeptly process images through multiple kernels, while capturing complex multi-resolution spatial relationships. MK-UNet also emphasizes the images salient features through sophisticated attention mechanisms, including channel, spatial, and grouped gated attention. Our MK-UNet network, with a modest computational footprint of only 0.316M parameters and 0.314G FLOPs, represents not only a remarkably lightweight, but also significantly improved segmentation solution that provides higher accuracy over state-of-the-art (SOTA) methods across six binary medical imaging benchmarks. Specifically, MK-UNet outperforms TransUNet in DICE score with nearly 333times and 123times fewer parameters and FLOPs, respectively. Similarly, when compared against UNeXt, MK-UNet exhibits superior segmentation performance, improving the DICE score up to 6.7% margins while operating with 4.7times fewer #Params. Our MK-UNet also outperforms other recent lightweight networks, such as MedT, CMUNeXt, EGE-UNet, and Rolling-UNet, with much lower computational resources. This leap in performance, coupled with drastic computational gains, positions MK-UNet as an unparalleled solution for real-time, high-fidelity medical diagnostics in resource-limited settings, such as point-of-care devices. Our implementation is available at https://github.com/SLDGroup/MK-UNet.

The MXFP4 microscaling format, which partitions tensors into blocks of 32 elements sharing an E8M0 scaling factor, has emerged as a promising substrate for efficient LLM inference, backed by native hardware support on NVIDIA Blackwell Tensor Cores. However, activation outliers pose a unique challenge under this format: a single outlier inflates the shared block scale, compressing the effective dynamic range of the remaining elements and causing significant quantization error. Existing rotation-based remedies, including randomized Hadamard and learnable rotations, are data-agnostic and therefore unable to specifically target the channels where outliers concentrate. We propose DuQuant++, which adapts the outlier-aware fine-grained rotation of DuQuant to the MXFP4 format by aligning the rotation block size with the microscaling group size (B{=}32). Because each MXFP4 group possesses an independent scaling factor, the cross-block variance issue that necessitates dual rotations and a zigzag permutation in the original DuQuant becomes irrelevant, enabling DuQuant++ to replace the entire pipeline with a single outlier-aware rotation, which halves the online rotation cost while simultaneously smoothing the weight distribution. Extensive experiments on the LLaMA-3 family under MXFP4 W4A4 quantization show that DuQuant++ consistently achieves state-of-the-art performance. Our code is available at https://github.com/Hsu1023/DuQuant-v2.

Using the example of configurations generated with the worm algorithm for the two-dimensional Ising model, we propose renormalization group (RG) transformations, inspired by the tensor RG, that can be applied to sets of images. We relate criticality to the logarithmic divergence of the largest principal component. We discuss the changes in link occupation under the RG transformation, suggest ways to obtain data collapse, and compare with the two state tensor RG approximation near the fixed point.

The recent progress of AI can be largely attributed to large language models (LLMs). However, their escalating memory requirements introduce challenges for machine learning (ML) researchers and engineers. Addressing this requires developers to partition a large model to distribute it across multiple GPUs or TPUs. This necessitates considerable coding and intricate configuration efforts with existing model parallel tools, such as Megatron-LM, DeepSpeed, and Alpa. These tools require users' expertise in machine learning systems (MLSys), creating a bottleneck in LLM development, particularly for developers without MLSys background. In this work, we present Redco, a lightweight and user-friendly tool crafted to automate distributed training and inference for LLMs, as well as to simplify ML pipeline development. The design of Redco emphasizes two key aspects. Firstly, to automate model parallism, our study identifies two straightforward rules to generate tensor parallel strategies for any given LLM. Integrating these rules into Redco facilitates effortless distributed LLM training and inference, eliminating the need of additional coding or complex configurations. We demonstrate the effectiveness by applying Redco on a set of LLM architectures, such as GPT-J, LLaMA, T5, and OPT, up to the size of 66B. Secondly, we propose a mechanism that allows for the customization of diverse ML pipelines through the definition of merely three functions, eliminating redundant and formulaic code like multi-host related processing. This mechanism proves adaptable across a spectrum of ML algorithms, from foundational language modeling to complex algorithms like meta-learning and reinforcement learning. Consequently, Redco implementations exhibit much fewer code lines compared to their official counterparts.

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These models extend traditional message-passing GNNs and Transformers by representing node and edge features as spherical tensors that transform under irreducible representations of the rotation group SO(3), ensuring that predictions change in physically meaningful ways under rotations of the input. This guide develops a complete, intuitive foundation for spherical equivariant modeling - from group representations and spherical harmonics, to tensor products, Clebsch-Gordan decomposition, and the construction of SO(3)-equivariant kernels. Building on this foundation, we construct the Tensor Field Network and SE(3)-Transformer architectures and explain how they perform equivariant message-passing and attention on geometric graphs. Through clear mathematical derivations and annotated code excerpts, this guide serves as a self-contained introduction for researchers and learners seeking to understand or implement spherical EGNNs for applications in chemistry, molecular property prediction, protein structure modeling, and generative modeling.

The Mixture of Experts (MoE) model becomes an important choice of large language models nowadays because of its scalability with sublinear computational complexity for training and inference. However, existing MoE models suffer from two critical drawbacks, 1) tremendous inner-node and inter-node communication overhead introduced by all-to-all dispatching and gathering, and 2) limited scalability for the backbone because of the bound data parallel and expert parallel to scale in the expert dimension. In this paper, we systematically analyze these drawbacks in terms of training efficiency in the parallel framework view and propose a novel MoE architecture called Pipeline MoE (PPMoE) to tackle them. PPMoE builds expert parallel incorporating with tensor parallel and replaces communication-intensive all-to-all dispatching and gathering with a simple tensor index slicing and inner-node all-reduce. Besides, it is convenient for PPMoE to integrate pipeline parallel to further scale the backbone due to its flexible parallel architecture. Extensive experiments show that PPMoE not only achieves a more than 1.75times speed up compared to existing MoE architectures but also reaches 90% throughput of its corresponding backbone model that is 20times smaller.

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.

Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents substantial advancements in the TorchMD-Net software, a pivotal step forward in the shift from conventional force fields to neural network-based potentials. The evolution of TorchMD-Net into a more comprehensive and versatile framework is highlighted, incorporating cutting-edge architectures such as TensorNet. This transformation is achieved through a modular design approach, encouraging customized applications within the scientific community. The most notable enhancement is a significant improvement in computational efficiency, achieving a very remarkable acceleration in the computation of energy and forces for TensorNet models, with performance gains ranging from 2-fold to 10-fold over previous iterations. Other enhancements include highly optimized neighbor search algorithms that support periodic boundary conditions and the smooth integration with existing molecular dynamics frameworks. Additionally, the updated version introduces the capability to integrate physical priors, further enriching its application spectrum and utility in research. The software is available at https://github.com/torchmd/torchmd-net.

Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of Euclidean geometry, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.

Transformer training systems are built around dense linear algebra, yet a nontrivial fraction of end-to-end time is spent on surrounding memory-bound operators. Normalization, activations, residual updates, reductions, and related computations repeatedly move large intermediate tensors through global memory while performing little arithmetic, making data movement an increasingly important bottleneck in otherwise highly optimized training stacks. We introduce CODA, a GPU kernel abstraction that expresses these computations as GEMM-plus-epilogue programs. CODA is based on the observation that many Transformer operators exposed as separate framework kernels can be algebraically reparameterized to execute while a GEMM output tile remains on chip, before it is written to memory. The abstraction fixes the GEMM mainloop and exposes a small set of composable epilogue primitives for scaling, reductions, pairwise transformations, and accumulation. This constrained interface preserves the performance structure of expert-written GEMMs while remaining expressive enough to cover nearly all non-attention computation in the forward and backward pass of a standard Transformer block. Across representative Transformer workloads, both human- and LLM-authored CODA kernels achieve high performance, suggesting that GEMM-plus-epilogue programming offers a practical path toward combining framework-level productivity with hardware-level efficiency.

Based on the weight-sharing mechanism, one-shot NAS methods train a supernet and then inherit the pre-trained weights to evaluate sub-models, largely reducing the search cost. However, several works have pointed out that the shared weights suffer from different gradient descent directions during training. And we further find that large gradient variance occurs during supernet training, which degrades the supernet ranking consistency. To mitigate this issue, we propose to explicitly minimize the gradient variance of the supernet training by jointly optimizing the sampling distributions of PAth and DAta (PA&DA). We theoretically derive the relationship between the gradient variance and the sampling distributions, and reveal that the optimal sampling probability is proportional to the normalized gradient norm of path and training data. Hence, we use the normalized gradient norm as the importance indicator for path and training data, and adopt an importance sampling strategy for the supernet training. Our method only requires negligible computation cost for optimizing the sampling distributions of path and data, but achieves lower gradient variance during supernet training and better generalization performance for the supernet, resulting in a more consistent NAS. We conduct comprehensive comparisons with other improved approaches in various search spaces. Results show that our method surpasses others with more reliable ranking performance and higher accuracy of searched architectures, showing the effectiveness of our method. Code is available at https://github.com/ShunLu91/PA-DA.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there are finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, real-world data is often not naturally posed in this setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions. Then, we convert each GP into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications. We release the code of FunBaT at https://github.com/xuangu-fang/Functional-Bayesian-Tucker-Decomposition.

We focus on addressing the dense backward propagation issue for training efficiency of N:M fine-grained sparsity that preserves at most N out of M consecutive weights and achieves practical speedups supported by the N:M sparse tensor core. Therefore, we present a novel method of Bi-directional Masks (Bi-Mask) with its two central innovations in: 1) Separate sparse masks in the two directions of forward and backward propagation to obtain training acceleration. It disentangles the forward and backward weight sparsity and overcomes the very dense gradient computation. 2) An efficient weight row permutation method to maintain performance. It picks up the permutation candidate with the most eligible N:M weight blocks in the backward to minimize the gradient gap between traditional uni-directional masks and our bi-directional masks. Compared with existing uni-directional scenario that applies a transposable mask and enables backward acceleration, our Bi-Mask is experimentally demonstrated to be more superior in performance. Also, our Bi-Mask performs on par with or even better than methods that fail to achieve backward acceleration. Project of this paper is available at https://github.com/zyxxmu/Bi-Mask.

We propose, implement, and compare with competitors a new architecture of equivariant neural networks based on geometric (Clifford) algebras: Generalized Lipschitz Group Equivariant Neural Networks (GLGENN). These networks are equivariant to all pseudo-orthogonal transformations, including rotations and reflections, of a vector space with any non-degenerate or degenerate symmetric bilinear form. We propose a weight-sharing parametrization technique that takes into account the fundamental structures and operations of geometric algebras. Due to this technique, GLGENN architecture is parameter-light and has less tendency to overfitting than baseline equivariant models. GLGENN outperforms or matches competitors on several benchmarking equivariant tasks, including estimation of an equivariant function and a convex hull experiment, while using significantly fewer optimizable parameters.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.