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Apr 17

TSPulse: Dual Space Tiny Pre-Trained Models for Rapid Time-Series Analysis

The rise of time-series pre-trained models has advanced temporal representation learning, but current state-of-the-art models are often large-scale, requiring substantial compute. We introduce TSPulse, ultra-compact time-series pre-trained models with only 1M parameters, specialized to perform strongly across classification, anomaly detection, imputation, and retrieval tasks. TSPulse introduces innovations at both the architecture and task levels. At the architecture level, it employs a dual-space masked reconstruction, learning from both time and frequency domains to capture complementary signals. This is further enhanced by a dual-embedding disentanglement, generating both detailed embeddings for fine-grained analysis and high-level semantic embeddings for broader task understanding. Notably, TSPulse's semantic embeddings are robust to shifts in time, magnitude, and noise, which is important for robust retrieval. At the task level, TSPulse incorporates TSLens, a fine-tuning component enabling task-specific feature attention. It also introduces a multi-head triangulation technique that correlates deviations from multiple prediction heads, enhancing anomaly detection by fusing complementary model outputs. Additionally, a hybrid mask pretraining is proposed to improves zero-shot imputation by reducing pre-training bias. These architecture and task innovations collectively contribute to TSPulse's significant performance gains: 5-16% on the UEA classification benchmarks, +20% on the TSB-AD anomaly detection leaderboard, +50% in zero-shot imputation, and +25% in time-series retrieval. Remarkably, these results are achieved with just 1M parameters, making TSPulse 10-100X smaller than existing pre-trained models. Its efficiency enables GPU-free inference and rapid pre-training, setting a new standard for efficient time-series pre-trained models. Models will be open-sourced soon.

  • 8 authors
·
May 19, 2025

FuseChat-3.0: Preference Optimization Meets Heterogeneous Model Fusion

We introduce FuseChat-3.0, a suite of large language models (LLMs) developed by integrating the strengths of heterogeneous source LLMs into more compact target LLMs. Our source models include the powerful Gemma-2-27B-it, Mistral-Large-Instruct-2407, Qwen-2.5-72B-Instruct, and Llama-3.1-70B-Instruct. For target models, we focus on three widely-used smaller variants-Llama-3.1-8B-Instruct, Gemma-2-9B-it, and Qwen-2.5-7B-Instruct-along with two ultra-compact options, Llama-3.2-3B-Instruct and Llama-3.2-1B-Instruct. To leverage the diverse capabilities of these source models, we develop a specialized data construction protocol tailored to various tasks and domains. The FuseChat-3.0 training pipeline consists of two key stages: (1) supervised fine-tuning (SFT) to align the target and source model distributions, and (2) Direct Preference Optimization (DPO) to apply preferences from multiple source LLMs to fine-tune the target model. The resulting FuseChat-3.0 models exhibit significant performance gains across tasks such as instruction following, general knowledge, mathematics, and coding. As illustrated in Figure 1, using Llama-3.1-8B-Instruct as the target model, our fusion approach achieves an average improvement of 6.8 points across 14 benchmarks. Moreover, it demonstrates remarkable gains of 37.1 points and 30.1 points on the instruction-following benchmarks AlpacaEval-2 and Arena-Hard, respectively. Our code, models, and datasets are available at https://github.com/SLIT-AI/FuseChat-3.0.

  • 6 authors
·
Mar 6, 2025 3

ULSAM: Ultra-Lightweight Subspace Attention Module for Compact Convolutional Neural Networks

The capability of the self-attention mechanism to model the long-range dependencies has catapulted its deployment in vision models. Unlike convolution operators, self-attention offers infinite receptive field and enables compute-efficient modeling of global dependencies. However, the existing state-of-the-art attention mechanisms incur high compute and/or parameter overheads, and hence unfit for compact convolutional neural networks (CNNs). In this work, we propose a simple yet effective "Ultra-Lightweight Subspace Attention Mechanism" (ULSAM), which infers different attention maps for each feature map subspace. We argue that leaning separate attention maps for each feature subspace enables multi-scale and multi-frequency feature representation, which is more desirable for fine-grained image classification. Our method of subspace attention is orthogonal and complementary to the existing state-of-the-arts attention mechanisms used in vision models. ULSAM is end-to-end trainable and can be deployed as a plug-and-play module in the pre-existing compact CNNs. Notably, our work is the first attempt that uses a subspace attention mechanism to increase the efficiency of compact CNNs. To show the efficacy of ULSAM, we perform experiments with MobileNet-V1 and MobileNet-V2 as backbone architectures on ImageNet-1K and three fine-grained image classification datasets. We achieve approx13% and approx25% reduction in both the FLOPs and parameter counts of MobileNet-V2 with a 0.27% and more than 1% improvement in top-1 accuracy on the ImageNet-1K and fine-grained image classification datasets (respectively). Code and trained models are available at https://github.com/Nandan91/ULSAM.

  • 5 authors
·
Jun 26, 2020

Spatially Encoded Polaritonic Ultra-Strong Coupling in Gradient Metasurfaces with Epsilon-Near-Zero Modes

We introduce a platform to achieve ultra-strong coupling (USC) between light and matter using widely available materials. USC is a light-matter interaction regime characterized by coupling strengths exceeding 10% of the ground state energy. It gives rise to novel physical phenomena, such as efficient single-photon coupling and quantum gates, with applications in quantum sensing, nonlinear optics, and low-threshold lasing. Although early demonstrations in plasmonic systems have been realized, achieving USC in dielectric platforms, which offer lower losses and high Q-factors, remains challenging due to typically low mode overlap between the photonic field and the material resonance. Here we leverage dielectric dual gradient metasurfaces supporting quasi-bound states in the continuum to spatially encode both the spectral and coupling parameter space and demonstrate USC to an epsilon-near-zero (ENZ) mode in an ultra-thin SiO2 layer. The strong out-of-plane electric fields in our tapered bar structure overlap exceptionally well with those of the ENZ mode, resulting in a normalized coupling strength of 0.101 and a mode splitting equivalent to 20% of the ENZ mode energy; a four- to five-fold increase compared to previous approaches. The strong field confinement of our approach opens new possibilities for compact and scalable polaritonic devices, such as tunable frequency converters and low-energy optical modulators.

  • 7 authors
·
Feb 19, 2025

More on the Weak Gravity Conjecture via Convexity of Charged Operators

The Weak Gravity Conjecture has recently been re-formulated in terms of a particle with non-negative self-binding energy. Because of the dual conformal field theory (CFT) formulation in the anti-de Sitter space the conformal dimension Delta (Q) of the lowest-dimension operator with charge Q under some global U(1) symmetry must be a convex function of Q. This property has been conjectured to hold for any (unitary) conformal field theory and generalized to larger global symmetry groups. Here we refine and further test the convex charge conjecture via semiclassical computations for fixed charge sectors of different theories in different dimensions. We analyze the convexity properties of the leading and next-to-leading order terms stemming from the semiclassical computation, de facto, extending previous tests beyond the leading perturbative contributions and to arbitrary charges. In particular, the leading contribution is sufficient to test convexity in the semiclassical computations. We also consider intriguing cases in which the models feature a transition from real to complex conformal dimensions either as a function of the charge or number of matter fields. As a relevant example of the first kind, we investigate the O(N) model in 4+epsilon dimensions. As an example of the second type we consider the U(N)times U(M) model in 4-epsilon dimensions. Both models display a rich dynamics where, by changing the number of matter fields and/or charge, one can achieve dramatically different physical regimes. We discover that whenever a complex conformal dimension appears, the real part satisfies the convexity property.

  • 5 authors
·
Sep 10, 2021

CompactifAI: Extreme Compression of Large Language Models using Quantum-Inspired Tensor Networks

Large Language Models (LLMs) such as ChatGPT and LlaMA are advancing rapidly in generative Artificial Intelligence (AI), but their immense size poses significant challenges, such as huge training and inference costs, substantial energy demands, and limitations for on-site deployment. Traditional compression methods such as pruning, distillation, and low-rank approximation focus on reducing the effective number of neurons in the network, while quantization focuses on reducing the numerical precision of individual weights to reduce the model size while keeping the number of neurons fixed. While these compression methods have been relatively successful in practice, there is no compelling reason to believe that truncating the number of neurons is an optimal strategy. In this context, this paper introduces CompactifAI, an innovative LLM compression approach using quantum-inspired Tensor Networks that focuses on the model's correlation space instead, allowing for a more controlled, refined and interpretable model compression. Our method is versatile and can be implemented with - or on top of - other compression techniques. As a benchmark, we demonstrate that a combination of CompactifAI with quantization allows to reduce a 93% the memory size of LlaMA 7B, reducing also 70% the number of parameters, accelerating 50% the training and 25% the inference times of the model, and just with a small accuracy drop of 2% - 3%, going much beyond of what is achievable today by other compression techniques. Our methods also allow to perform a refined layer sensitivity profiling, showing that deeper layers tend to be more suitable for tensor network compression, which is compatible with recent observations on the ineffectiveness of those layers for LLM performance. Our results imply that standard LLMs are, in fact, heavily overparametrized, and do not need to be large at all.

  • 18 authors
·
Jan 25, 2024

Compacter: Efficient Low-Rank Hypercomplex Adapter Layers

Adapting large-scale pretrained language models to downstream tasks via fine-tuning is the standard method for achieving state-of-the-art performance on NLP benchmarks. However, fine-tuning all weights of models with millions or billions of parameters is sample-inefficient, unstable in low-resource settings, and wasteful as it requires storing a separate copy of the model for each task. Recent work has developed parameter-efficient fine-tuning methods, but these approaches either still require a relatively large number of parameters or underperform standard fine-tuning. In this work, we propose Compacter, a method for fine-tuning large-scale language models with a better trade-off between task performance and the number of trainable parameters than prior work. Compacter accomplishes this by building on top of ideas from adapters, low-rank optimization, and parameterized hypercomplex multiplication layers. Specifically, Compacter inserts task-specific weight matrices into a pretrained model's weights, which are computed efficiently as a sum of Kronecker products between shared "slow" weights and "fast" rank-one matrices defined per Compacter layer. By only training 0.047% of a pretrained model's parameters, Compacter performs on par with standard fine-tuning on GLUE and outperforms standard fine-tuning on SuperGLUE and low-resource settings. Our code is publicly available at~https://github.com/rabeehk/compacter.

  • 3 authors
·
Jun 8, 2021

Specializing Smaller Language Models towards Multi-Step Reasoning

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

  • 5 authors
·
Jan 30, 2023

Fisher Curvature Scaling at Critical Points: An Exact Information-Geometric Exponent from Periodic Boundary Conditions

We study the scalar curvature of the Fisher information metric on the microscopic coupling-parameter manifold of lattice spin models at criticality. For a d-dimensional lattice with periodic boundary conditions and n = L^d sites, the Fisher manifold has m = d cdot n dimensions (one per bond), and we find |R(J_c)| sim n^{d_R} with d_R = (dν+ 2η)/(dν+ η), where ν and η are the correlation-length and anomalous-dimension critical exponents. For 2D Ising (ν= 1, η= 1/4), this predicts d_R = 10/9, confirmed by exact transfer-matrix computations (L = 6--9: d_R = 1.1115 pm 0.0002) and multi-seed MCMC through L = 24. For 3D Ising (ν= 0.630, η= 0.0363), the prediction d_R = 1.019 is consistent with MCMC on L^3 tori up to L = 10 (power-law fit: d_R = 1.040). For 2D Potts q = 3 (predicted 33/29 approx 1.138), FFT-MCMC through L = 40 shows d_eff oscillating non-monotonically around sim 1.20, consistent with O(1/(ln L)^2) logarithmic corrections. For q = 4 (predicted 22/19), effective exponents oscillate with strong logarithmic corrections. The Ricci decomposition identity R_3 = -R_1/2, R_4 = -R_2/2 holds to 5--6 digits for all models. This exponent is distinct from Ruppeiner thermodynamic curvature and reflects the collective geometry of the growing Fisher manifold. We provide falsification criteria and predictions for additional universality classes.

  • 1 authors
·
Mar 8

Generative Marginalization Models

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

  • 3 authors
·
Oct 19, 2023

SLiM: One-shot Quantization and Sparsity with Low-rank Approximation for LLM Weight Compression

Conventional model compression techniques for LLMs address high memory consumption and slow inference challenges but typically require computationally expensive retraining to preserve accuracy. In contrast, one-shot compression methods eliminate retraining cost, but struggle to achieve accuracy comparable to dense models. This paper presents SLIM, a new one-shot compression framework that holistically integrates hardware-friendly quantization, sparsity, and low-rank approximation into a unified process. First, we formulate the quantization process using a probabilistic approach (SLIM-Quant) that enables us to apply uniform quantization. Then, we use an existing one-shot pruning method to apply semi-structured sparsity on top of the quantized weights. Finally, to compensate for the introduced aggregated quantization and sparsity error, we use a novel saliency function with unique invertible and additive features that enables us to mathematically compute the value of low-rank adapters. SLIM improves model accuracy by up to 5.66% (LLaMA-2-7B) for 2:4 sparsity with 4-bit weight quantization, outperforming prior methods. Models compressed with SLIM achieve up to 4.3x and 3.8x on Nvidia RTX3060 and A100 GPUs, respectively. Additionally, they achieve up to 0.23x end-to-end memory reduction in comparison to their dense counterparts. We also propose an optional PEFT recipe that further improves accuracy by up to 1.66% (LLaMA-2-13B) compared to SLIM without fine-tuning.

  • 3 authors
·
Oct 12, 2024

Lie Group Decompositions for Equivariant Neural Networks

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

  • 2 authors
·
Oct 17, 2023

ECR: Manifold-Guided Semantic Cues for Compact Language Models

Compact models often lose the structure of their embedding space. The issue shows up when the capacity is tight or the data spans several languages. Such collapse makes it difficult for downstream tasks to build on the resulting representation. Existing compression methods focus on aligning model outputs at a superficial level but fail to preserve the underlying manifold structure. This mismatch often leads to semantic drift in the compact model, causing both task behavior and linguistic properties to deviate from the reference model. To address those issues, we provide a new framework called Embedding Consistency Regulation (ECR). This framework first derives a set of semantic anchors from teacher embeddings (computed once offline). Then, the compact model learns to maintain consistent geometry around these anchors, without relying on matching logits or internal features. ECR adds only a small projection step at inference, without altering the decoding architecture or its runtime behavior. In experiments on a 100K multilingual corpus, ECR consistently stabilizes training and preserves semantic structure across tasks and languages. It also produces a more compact and task-aligned representation space, enabling low-capacity models to learn cleaner manifolds than conventional baselines. ECR works without teacher outputs and is compatible with, but independent of, distillation. Taken together, our results show that ECR helps compact models better follow task requirements and makes them easier to deploy under strict efficiency or privacy limits.

  • 1 authors
·
Jan 1

Compressing Pre-trained Models of Code into 3 MB

Although large pre-trained models of code have delivered significant advancements in various code processing tasks, there is an impediment to the wide and fluent adoption of these powerful models in software developers' daily workflow: these large models consume hundreds of megabytes of memory and run slowly on personal devices, which causes problems in model deployment and greatly degrades the user experience. It motivates us to propose Compressor, a novel approach that can compress the pre-trained models of code into extremely small models with negligible performance sacrifice. Our proposed method formulates the design of tiny models as simplifying the pre-trained model architecture: searching for a significantly smaller model that follows an architectural design similar to the original pre-trained model. Compressor proposes a genetic algorithm (GA)-based strategy to guide the simplification process. Prior studies found that a model with higher computational cost tends to be more powerful. Inspired by this insight, the GA algorithm is designed to maximize a model's Giga floating-point operations (GFLOPs), an indicator of the model computational cost, to satisfy the constraint of the target model size. Then, we use the knowledge distillation technique to train the small model: unlabelled data is fed into the large model and the outputs are used as labels to train the small model. We evaluate Compressor with two state-of-the-art pre-trained models, i.e., CodeBERT and GraphCodeBERT, on two important tasks, i.e., vulnerability prediction and clone detection. We use our method to compress pre-trained models to a size (3 MB), which is 160times smaller than the original size. The results show that compressed CodeBERT and GraphCodeBERT are 4.31times and 4.15times faster than the original model at inference, respectively. More importantly, ...

  • 5 authors
·
Aug 15, 2022

Achieving the quantum field theory limit in far-from-equilibrium quantum link models

Realizations of gauge theories in setups of quantum synthetic matter open up the possibility of probing salient exotic phenomena in condensed matter and high-energy physics, along with potential applications in quantum information and science technologies. In light of the impressive ongoing efforts to achieve such realizations, a fundamental question regarding quantum link model regularizations of lattice gauge theories is how faithfully they capture the quantum field theory limit of gauge theories. Recent work [Zache, Van Damme, Halimeh, Hauke, and Banerjee, at https://journals.aps.org/prd/abstract/10.1103/PhysRevD.106.L091502 has shown through analytic derivations, exact diagonalization, and infinite matrix product state calculations that the low-energy physics of 1+1D U(1) quantum link models approaches the quantum field theory limit already at small link spin length S. Here, we show that the approach to this limit also lends itself to the far-from-equilibrium quench dynamics of lattice gauge theories, as demonstrated by our numerical simulations of the Loschmidt return rate and the chiral condensate in infinite matrix product states, which work directly in the thermodynamic limit. Similar to our findings in equilibrium that show a distinct behavior between half-integer and integer link spin lengths, we find that criticality emerging in the Loschmidt return rate is fundamentally different between half-integer and integer spin quantum link models in the regime of strong electric-field coupling. Our results further affirm that state-of-the-art finite-size ultracold-atom and NISQ-device implementations of quantum link lattice gauge theories have the real potential to simulate their quantum field theory limit even in the far-from-equilibrium regime.

  • 5 authors
·
Dec 8, 2021

UBio-MolFM: A Universal Molecular Foundation Model for Bio-Systems

All-atom molecular simulation serves as a quintessential ``computational microscope'' for understanding the machinery of life, yet it remains fundamentally limited by the trade-off between quantum-mechanical (QM) accuracy and biological scale. We present UBio-MolFM, a universal foundation model framework specifically engineered to bridge this gap. UBio-MolFM introduces three synergistic innovations: (1) UBio-Mol26, a large bio-specific dataset constructed via a multi-fidelity ``Two-Pronged Strategy'' that combines systematic bottom-up enumeration with top-down sampling of native protein environments (up to 1,200 atoms); (2) E2Former-V2, a linear-scaling equivariant transformer that integrates Equivariant Axis-Aligned Sparsification (EAAS) and Long-Short Range (LSR) modeling to capture non-local physics with up to ~4x higher inference throughput in our large-system benchmarks; and (3) a Three-Stage Curriculum Learning protocol that transitions from energy initialization to energy-force consistency, with force-focused supervision to mitigate energy offsets. Rigorous benchmarking across microscopic forces and macroscopic observables -- including liquid water structure, ionic solvation, and peptide folding -- demonstrates that UBio-MolFM achieves ab initio-level fidelity on large, out-of-distribution biomolecular systems (up to ~1,500 atoms) and realistic MD observables. By reconciling scalability with quantum precision, UBio-MolFM provides a robust, ready-to-use tool for the next generation of computational biology.

  • 11 authors
·
Feb 12

Scalable Diffusion for Materials Generation

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

  • 7 authors
·
Oct 18, 2023

Escaping the Big Data Paradigm with Compact Transformers

With the rise of Transformers as the standard for language processing, and their advancements in computer vision, there has been a corresponding growth in parameter size and amounts of training data. Many have come to believe that because of this, transformers are not suitable for small sets of data. This trend leads to concerns such as: limited availability of data in certain scientific domains and the exclusion of those with limited resource from research in the field. In this paper, we aim to present an approach for small-scale learning by introducing Compact Transformers. We show for the first time that with the right size, convolutional tokenization, transformers can avoid overfitting and outperform state-of-the-art CNNs on small datasets. Our models are flexible in terms of model size, and can have as little as 0.28M parameters while achieving competitive results. Our best model can reach 98% accuracy when training from scratch on CIFAR-10 with only 3.7M parameters, which is a significant improvement in data-efficiency over previous Transformer based models being over 10x smaller than other transformers and is 15% the size of ResNet50 while achieving similar performance. CCT also outperforms many modern CNN based approaches, and even some recent NAS-based approaches. Additionally, we obtain a new SOTA result on Flowers-102 with 99.76% top-1 accuracy, and improve upon the existing baseline on ImageNet (82.71% accuracy with 29% as many parameters as ViT), as well as NLP tasks. Our simple and compact design for transformers makes them more feasible to study for those with limited computing resources and/or dealing with small datasets, while extending existing research efforts in data efficient transformers. Our code and pre-trained models are publicly available at https://github.com/SHI-Labs/Compact-Transformers.

  • 6 authors
·
Apr 12, 2021

PV-Tuning: Beyond Straight-Through Estimation for Extreme LLM Compression

There has been significant interest in "extreme" compression of large language models (LLMs), i.e., to 1-2 bits per parameter, which allows such models to be executed efficiently on resource-constrained devices. Existing work focused on improved one-shot quantization techniques and weight representations; yet, purely post-training approaches are reaching diminishing returns in terms of the accuracy-vs-bit-width trade-off. State-of-the-art quantization methods such as QuIP# and AQLM include fine-tuning (part of) the compressed parameters over a limited amount of calibration data; however, such fine-tuning techniques over compressed weights often make exclusive use of straight-through estimators (STE), whose performance is not well-understood in this setting. In this work, we question the use of STE for extreme LLM compression, showing that it can be sub-optimal, and perform a systematic study of quantization-aware fine-tuning strategies for LLMs. We propose PV-Tuning - a representation-agnostic framework that generalizes and improves upon existing fine-tuning strategies, and provides convergence guarantees in restricted cases. On the practical side, when used for 1-2 bit vector quantization, PV-Tuning outperforms prior techniques for highly-performant models such as Llama and Mistral. Using PV-Tuning, we achieve the first Pareto-optimal quantization for Llama 2 family models at 2 bits per parameter.

  • 8 authors
·
May 23, 2024

Quamba2: A Robust and Scalable Post-training Quantization Framework for Selective State Space Models

State Space Models (SSMs) are emerging as a compelling alternative to Transformers because of their consistent memory usage and high performance. Despite this, scaling up SSMs on cloud services or limited-resource devices is challenging due to their storage requirements and computational power. To overcome this, quantizing SSMs with low bit-width data formats can reduce model size and benefit from hardware acceleration. As SSMs are prone to quantization-induced errors, recent efforts have focused on optimizing a particular model or bit-width for efficiency without sacrificing performance. However, distinct bit-width configurations are essential for different scenarios, like W4A8 for boosting large-batch decoding speed, and W4A16 for enhancing generation speed in short prompt applications for a single user. To this end, we present Quamba2, compatible with W8A8, W4A8, and W4A16 for both Mamba1 and Mamba2 backbones, addressing the growing demand for SSM deployment on various platforms. Based on the channel order preserving and activation persistence of SSMs, we propose an offline approach to quantize inputs of a linear recurrence in 8-bit by sorting and clustering for input x, combined with a per-state-group quantization for input-dependent parameters B and C. To ensure compute-invariance in the SSM output, we rearrange weights offline according to the clustering sequence. The experiments show that Quamba2-8B outperforms several state-of-the-art SSM quantization methods and delivers 1.3times and 3times speed-ups in the pre-filling and generation stages, respectively, while offering 4times memory reduction with only a 1.6% average accuracy drop. The evaluation on MMLU shows the generalizability and robustness of our framework. The code and quantized models will be released at: https://github.com/enyac-group/Quamba.

Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products

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.

  • 3 authors
·
Jan 18, 2024

Unified Low-rank Compression Framework for Click-through Rate Prediction

Deep Click-Through Rate (CTR) prediction models play an important role in modern industrial recommendation scenarios. However, high memory overhead and computational costs limit their deployment in resource-constrained environments. Low-rank approximation is an effective method for computer vision and natural language processing models, but its application in compressing CTR prediction models has been less explored. Due to the limited memory and computing resources, compression of CTR prediction models often confronts three fundamental challenges, i.e., (1). How to reduce the model sizes to adapt to edge devices? (2). How to speed up CTR prediction model inference? (3). How to retain the capabilities of original models after compression? Previous low-rank compression research mostly uses tensor decomposition, which can achieve a high parameter compression ratio, but brings in AUC degradation and additional computing overhead. To address these challenges, we propose a unified low-rank decomposition framework for compressing CTR prediction models. We find that even with the most classic matrix decomposition SVD method, our framework can achieve better performance than the original model. To further improve the effectiveness of our framework, we locally compress the output features instead of compressing the model weights. Our unified low-rank compression framework can be applied to embedding tables and MLP layers in various CTR prediction models. Extensive experiments on two academic datasets and one real industrial benchmark demonstrate that, with 3-5x model size reduction, our compressed models can achieve both faster inference and higher AUC than the uncompressed original models. Our code is at https://github.com/yuhao318/Atomic_Feature_Mimicking.

  • 5 authors
·
May 28, 2024

A Graph Neural Network for the Era of Large Atomistic Models

Foundation models, or large atomistic models (LAMs), aim to universally represent the ground-state potential energy surface (PES) of atomistic systems as defined by density functional theory (DFT). The scaling law is pivotal in the development of large models, suggesting that their generalizability in downstream tasks consistently improves with increased model size, expanded training datasets, and larger computational budgets. In this study, we present DPA3, a multi-layer graph neural network founded on line graph series (LiGS), designed explicitly for the era of LAMs. We demonstrate that the generalization error of the DPA3 model adheres to the scaling law. The scalability in the number of model parameters is attained by stacking additional layers within DPA3. Additionally, the model employs a dataset encoding mechanism that decouples the scaling of training data size from the model size within its multi-task training framework. When trained as problem-oriented potential energy models, the DPA3 model exhibits superior accuracy in the majority of benchmark cases, encompassing systems with diverse features, including molecules, bulk materials, surface and cluster catalysts, two-dimensional materials, and battery materials. When trained as a LAM on the OpenLAM-v1 dataset, the DPA-3.1-3M model exhibits state-of-the-art performance in the LAMBench benchmark suite for LAMs, demonstrating lowest overall zero-shot generalization error across 17 downstream tasks from a broad spectrum of research domains. This performance suggests superior accuracy as an out-of-the-box potential model, requiring minimal fine-tuning data for downstream scientific applications.

  • 14 authors
·
Jun 2, 2025

MeLM, a generative pretrained language modeling framework that solves forward and inverse mechanics problems

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various examples including bio-inspired hierarchical honeycomb design, carbon nanotube mechanics, and protein unfolding. In spite of the flexible nature of the model-which allows us to easily incorporate diverse materials, scales, and mechanical features-it performs well across disparate forward and inverse tasks. Based on an autoregressive attention-model, MeLM effectively represents a large multi-particle system consisting of hundreds of millions of neurons, where the interaction potentials are discovered through graph-forming self-attention mechanisms that are then used to identify relationships from emergent structures, while taking advantage of synergies discovered in the training data. We show that the model can solve complex degenerate mechanics design problems and determine novel material architectures across a range of hierarchical levels, providing an avenue for materials discovery and analysis. Looking beyond the demonstrations reported in this paper, we discuss other opportunities in applied mechanics and general considerations about the use of large language models in modeling, design, and analysis that can span a broad spectrum of material properties from mechanical, thermal, optical, to electronic.

  • 1 authors
·
Jun 30, 2023

Understanding the Impact of Post-Training Quantization on Large Language Models

Large language models (LLMs) are rapidly increasing in size, with the number of parameters becoming a key factor in the success of many commercial models, such as ChatGPT, Claude, and Bard. Even the recently released publicly accessible models for commercial usage, such as Falcon and Llama2, come equipped with billions of parameters. This significant increase in the number of parameters makes deployment and operation very costly. The remarkable progress in the field of quantization for large neural networks in general and LLMs in particular, has made these models more accessible by enabling them to be deployed on consumer-grade GPUs. Quantized models generally demonstrate comparable performance levels to their unquantized base counterparts. Nonetheless, there exists a notable gap in our comprehensive understanding of how these quantized models respond to hyperparameters, such as temperature, max new tokens, and topk, particularly for next word prediction. The present analysis reveals that nf4 and fp4 are equally proficient 4-bit quantization techniques, characterized by similar attributes such as inference speed, memory consumption, and the quality of generated content. the study identifies nf4 as displaying greater resilience to temperature variations in the case of the llama2 series of models at lower temperature, while fp4 and fp4-dq proves to be a more suitable choice for falcon series of models. It is noteworthy that, in general, 4-bit quantized models of varying sizes exhibit higher sensitivity to temperature in the range of 0.5 to 0.8, unlike their unquantized counterparts. Additionally, int8 quantization is associated with significantly slower inference speeds, whereas unquantized bfloat16 models consistently yield the fastest inference speeds across models of all sizes.

  • 1 authors
·
Sep 10, 2023

EquiNO: A Physics-Informed Neural Operator for Multiscale Simulations

Multiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for many-query scenarios, e.g., uncertainty quantification, remeshing applications, topology optimization, and so forth. This limitation has motivated the application of data-driven surrogate models, where the microscale computations are substituted with a surrogate, usually acting as a black-box mapping between macroscale quantities. These models offer significant speedups but struggle with incorporating microscale physical constraints, such as the balance of linear momentum and constitutive models. In this contribution, we propose Equilibrium Neural Operator (EquiNO) as a complementary physics-informed PDE surrogate for predicting microscale physics and compare it with variational physics-informed neural and operator networks. Our framework, applicable to the so-called multiscale FE^{,2}, computations, introduces the FE-OL approach by integrating the finite element (FE) method with operator learning (OL). We apply the proposed FE-OL approach to quasi-static problems of solid mechanics. The results demonstrate that FE-OL can yield accurate solutions even when confronted with a restricted dataset during model development. Our results show that EquiNO achieves speedup factors exceeding 8000-fold compared to traditional methods and offers an optimal balance between data-driven and physics-based strategies.

  • 5 authors
·
Mar 27, 2025

Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Novel Proteins

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

  • 1 authors
·
May 7, 2023

Predictable Scale: Part I -- Optimal Hyperparameter Scaling Law in Large Language Model Pretraining

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

  • 10 authors
·
Mar 6, 2025

To prune, or not to prune: exploring the efficacy of pruning for model compression

Model pruning seeks to induce sparsity in a deep neural network's various connection matrices, thereby reducing the number of nonzero-valued parameters in the model. Recent reports (Han et al., 2015; Narang et al., 2017) prune deep networks at the cost of only a marginal loss in accuracy and achieve a sizable reduction in model size. This hints at the possibility that the baseline models in these experiments are perhaps severely over-parameterized at the outset and a viable alternative for model compression might be to simply reduce the number of hidden units while maintaining the model's dense connection structure, exposing a similar trade-off in model size and accuracy. We investigate these two distinct paths for model compression within the context of energy-efficient inference in resource-constrained environments and propose a new gradual pruning technique that is simple and straightforward to apply across a variety of models/datasets with minimal tuning and can be seamlessly incorporated within the training process. We compare the accuracy of large, but pruned models (large-sparse) and their smaller, but dense (small-dense) counterparts with identical memory footprint. Across a broad range of neural network architectures (deep CNNs, stacked LSTM, and seq2seq LSTM models), we find large-sparse models to consistently outperform small-dense models and achieve up to 10x reduction in number of non-zero parameters with minimal loss in accuracy.

  • 2 authors
·
Oct 5, 2017

Verifying Good Regulator Conditions for Hypergraph Observers: Natural Gradient Learning from Causal Invariance via Established Theorems

We verify that persistent observers in causally invariant hypergraph substrates satisfy the conditions of the Conant-Ashby Good Regulator Theorem. Building on Wolfram's hypergraph physics and Vanchurin's neural network cosmology, we formalize persistent observers as entities that minimize prediction error at their boundary with the environment. Applying a modern reformulation of the Conant-Ashby theorem, we demonstrate that hypergraph observers satisfy Good Regulator conditions, requiring them to maintain internal models. Once an internal model with loss function exists, the emergence of a Fisher information metric follows from standard information geometry. Invoking Amari's uniqueness theorem for reparameterization-invariant gradients, we show that natural gradient descent is the unique admissible learning rule. Under the ansatz M=F^2 for exponential family observers and one specific convergence time functional, we derive a closed-form formula for the regime parameter alpha in Vanchurin's Type II framework, with a quantum-classical threshold at kappa(F)=2. However, three alternative convergence models do not reproduce this result, so this prediction is strongly model-dependent. We further introduce the directional regime parameter alpha_{v_k} and the trace-free deviation tensor, showing that a single observer can simultaneously occupy different Vanchurin regimes along different eigendirections of the Fisher metric. This connects Wolfram and Vanchurin frameworks through established theorems, providing approximately 25-30% novel contribution.

  • 1 authors
·
Mar 9

Fine-tuning large language models for domain adaptation: Exploration of training strategies, scaling, model merging and synergistic capabilities

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In this work, we explore the effects of Continued Pretraining (CPT), Supervised Fine-Tuning (SFT), and various preference-based optimization approaches, including Direct Preference Optimization (DPO) and Odds Ratio Preference Optimization (ORPO), on fine-tuned LLM performance. Our analysis shows how these strategies influence model outcomes and reveals that the merging of multiple fine-tuned models can lead to the emergence of capabilities that surpass the individual contributions of the parent models. We find that model merging leads to new functionalities that neither parent model could achieve alone, leading to improved performance in domain-specific assessments. Experiments with different model architectures are presented, including Llama 3.1 8B and Mistral 7B models, where similar behaviors are observed. Exploring whether the results hold also for much smaller models, we use a tiny LLM with 1.7 billion parameters and show that very small LLMs do not necessarily feature emergent capabilities under model merging, suggesting that model scaling may be a key component. In open-ended yet consistent chat conversations between a human and AI models, our assessment reveals detailed insights into how different model variants perform and show that the smallest model achieves a high intelligence score across key criteria including reasoning depth, creativity, clarity, and quantitative precision. Other experiments include the development of image generation prompts based on disparate biological material design concepts, to create new microstructures, architectural concepts, and urban design based on biological materials-inspired construction principles.

  • 3 authors
·
Sep 5, 2024

SqueezeLLM: Dense-and-Sparse Quantization

Generative Large Language Models (LLMs) have demonstrated remarkable results for a wide range of tasks. However, deploying these models for inference has been a significant challenge due to their unprecedented resource requirements. This has forced existing deployment frameworks to use multi-GPU inference pipelines, which are often complex and costly, or to use smaller and less performant models. In this work, we demonstrate that the main bottleneck for generative inference with LLMs is memory bandwidth, rather than compute, specifically for single batch inference. While quantization has emerged as a promising solution by representing model weights with reduced precision, previous efforts have often resulted in notable performance degradation. To address this, we introduce SqueezeLLM, a post-training quantization framework that not only enables lossless compression to ultra-low precisions of up to 3-bit, but also achieves higher quantization performance under the same memory constraint. Our framework incorporates two novel ideas: (i) sensitivity-based non-uniform quantization, which searches for the optimal bit precision assignment based on second-order information; and (ii) the Dense-and-Sparse decomposition that stores outliers and sensitive weight values in an efficient sparse format. When applied to the LLaMA models, our 3-bit quantization significantly reduces the perplexity gap from the FP16 baseline by up to 2.1x as compared to the state-of-the-art methods with the same memory requirement. Furthermore, when deployed on an A6000 GPU, our quantized models achieve up to 2.3x speedup compared to the baseline. Our code is open-sourced and available online.

  • 8 authors
·
Jun 13, 2023

Efficient Arbitrary Precision Acceleration for Large Language Models on GPU Tensor Cores

Large language models (LLMs) have been widely applied but face challenges in efficient inference. While quantization methods reduce computational demands, ultra-low bit quantization with arbitrary precision is hindered by limited GPU Tensor Core support and inefficient memory management, leading to suboptimal acceleration. To address these challenges, we propose a comprehensive acceleration scheme for arbitrary precision LLMs. At its core, we introduce a novel bipolar-INT data format that facilitates parallel computing and supports symmetric quantization, effectively reducing data redundancy. Building on this, we implement an arbitrary precision matrix multiplication scheme that decomposes and recovers matrices at the bit level, enabling flexible precision while maximizing GPU Tensor Core utilization. Furthermore, we develop an efficient matrix preprocessing method that optimizes data layout for subsequent computations. Finally, we design a data recovery-oriented memory management system that strategically utilizes fast shared memory, significantly enhancing kernel execution speed and minimizing memory access latency. Experimental results demonstrate our approach's effectiveness, with up to 2.4\times speedup in matrix multiplication compared to NVIDIA's CUTLASS. When integrated into LLMs, we achieve up to 6.7\times inference acceleration. These improvements significantly enhance LLM inference efficiency, enabling broader and more responsive applications of LLMs.

  • 4 authors
·
Sep 26, 2024

Unicorn: Unified Neural Image Compression with One Number Reconstruction

Prevalent lossy image compression schemes can be divided into: 1) explicit image compression (EIC), including traditional standards and neural end-to-end algorithms; 2) implicit image compression (IIC) based on implicit neural representations (INR). The former is encountering impasses of either leveling off bitrate reduction at a cost of tremendous complexity while the latter suffers from excessive smoothing quality as well as lengthy decoder models. In this paper, we propose an innovative paradigm, which we dub Unicorn (Unified Neural Image Compression with One Nnumber Reconstruction). By conceptualizing the images as index-image pairs and learning the inherent distribution of pairs in a subtle neural network model, Unicorn can reconstruct a visually pleasing image from a randomly generated noise with only one index number. The neural model serves as the unified decoder of images while the noises and indexes corresponds to explicit representations. As a proof of concept, we propose an effective and efficient prototype of Unicorn based on latent diffusion models with tailored model designs. Quantitive and qualitative experimental results demonstrate that our prototype achieves significant bitrates reduction compared with EIC and IIC algorithms. More impressively, benefitting from the unified decoder, our compression ratio escalates as the quantity of images increases. We envision that more advanced model designs will endow Unicorn with greater potential in image compression. We will release our codes in https://github.com/uniqzheng/Unicorn-Laduree.

  • 11 authors
·
Dec 11, 2024

Language model compression with weighted low-rank factorization

Factorizing a large matrix into small matrices is a popular strategy for model compression. Singular value decomposition (SVD) plays a vital role in this compression strategy, approximating a learned matrix with fewer parameters. However, SVD minimizes the squared error toward reconstructing the original matrix without gauging the importance of the parameters, potentially giving a larger reconstruction error for those who affect the task accuracy more. In other words, the optimization objective of SVD is not aligned with the trained model's task accuracy. We analyze this previously unexplored problem, make observations, and address it by introducing Fisher information to weigh the importance of parameters affecting the model prediction. This idea leads to our method: Fisher-Weighted SVD (FWSVD). Although the factorized matrices from our approach do not result in smaller reconstruction errors, we find that our resulting task accuracy is much closer to the original model's performance. We perform analysis with the transformer-based language models, showing our weighted SVD largely alleviates the mismatched optimization objectives and can maintain model performance with a higher compression rate. Our method can directly compress a task-specific model while achieving better performance than other compact model strategies requiring expensive model pre-training. Moreover, the evaluation of compressing an already compact model shows our method can further reduce 9% to 30% parameters with an insignificant impact on task accuracy.

  • 6 authors
·
Jun 30, 2022

eDKM: An Efficient and Accurate Train-time Weight Clustering for Large Language Models

Since Large Language Models or LLMs have demonstrated high-quality performance on many complex language tasks, there is a great interest in bringing these LLMs to mobile devices for faster responses and better privacy protection. However, the size of LLMs (i.e., billions of parameters) requires highly effective compression to fit into storage-limited devices. Among many compression techniques, weight-clustering, a form of non-linear quantization, is one of the leading candidates for LLM compression, and supported by modern smartphones. Yet, its training overhead is prohibitively significant for LLM fine-tuning. Especially, Differentiable KMeans Clustering, or DKM, has shown the state-of-the-art trade-off between compression ratio and accuracy regression, but its large memory complexity makes it nearly impossible to apply to train-time LLM compression. In this paper, we propose a memory-efficient DKM implementation, eDKM powered by novel techniques to reduce the memory footprint of DKM by orders of magnitudes. For a given tensor to be saved on CPU for the backward pass of DKM, we compressed the tensor by applying uniquification and sharding after checking if there is no duplicated tensor previously copied to CPU. Our experimental results demonstrate that \prjname can fine-tune and compress a pretrained LLaMA 7B model from 12.6 GB to 2.5 GB (3bit/weight) with the Alpaca dataset by reducing the train-time memory footprint of a decoder layer by 130times, while delivering good accuracy on broader LLM benchmarks (i.e., 77.7% for PIQA, 66.1% for Winograde, and so on).

  • 8 authors
·
Sep 2, 2023

MetricGrids: Arbitrary Nonlinear Approximation with Elementary Metric Grids based Implicit Neural Representation

This paper presents MetricGrids, a novel grid-based neural representation that combines elementary metric grids in various metric spaces to approximate complex nonlinear signals. While grid-based representations are widely adopted for their efficiency and scalability, the existing feature grids with linear indexing for continuous-space points can only provide degenerate linear latent space representations, and such representations cannot be adequately compensated to represent complex nonlinear signals by the following compact decoder. To address this problem while keeping the simplicity of a regular grid structure, our approach builds upon the standard grid-based paradigm by constructing multiple elementary metric grids as high-order terms to approximate complex nonlinearities, following the Taylor expansion principle. Furthermore, we enhance model compactness with hash encoding based on different sparsities of the grids to prevent detrimental hash collisions, and a high-order extrapolation decoder to reduce explicit grid storage requirements. experimental results on both 2D and 3D reconstructions demonstrate the superior fitting and rendering accuracy of the proposed method across diverse signal types, validating its robustness and generalizability. Code is available at https://github.com/wangshu31/MetricGrids}{https://github.com/wangshu31/MetricGrids.

  • 8 authors
·
Mar 12, 2025

CRA5: Extreme Compression of ERA5 for Portable Global Climate and Weather Research via an Efficient Variational Transformer

The advent of data-driven weather forecasting models, which learn from hundreds of terabytes (TB) of reanalysis data, has significantly advanced forecasting capabilities. However, the substantial costs associated with data storage and transmission present a major challenge for data providers and users, affecting resource-constrained researchers and limiting their accessibility to participate in AI-based meteorological research. To mitigate this issue, we introduce an efficient neural codec, the Variational Autoencoder Transformer (VAEformer), for extreme compression of climate data to significantly reduce data storage cost, making AI-based meteorological research portable to researchers. Our approach diverges from recent complex neural codecs by utilizing a low-complexity Auto-Encoder transformer. This encoder produces a quantized latent representation through variance inference, which reparameterizes the latent space as a Gaussian distribution. This method improves the estimation of distributions for cross-entropy coding. Extensive experiments demonstrate that our VAEformer outperforms existing state-of-the-art compression methods in the context of climate data. By applying our VAEformer, we compressed the most popular ERA5 climate dataset (226 TB) into a new dataset, CRA5 (0.7 TB). This translates to a compression ratio of over 300 while retaining the dataset's utility for accurate scientific analysis. Further, downstream experiments show that global weather forecasting models trained on the compact CRA5 dataset achieve forecasting accuracy comparable to the model trained on the original dataset. Code, the CRA5 dataset, and the pre-trained model are available at https://github.com/taohan10200/CRA5.

  • 5 authors
·
May 6, 2024

Homogenization framework for rigid and non-rigid foldable origami metamaterials

Origami metamaterials typically consist of folded sheets with periodic patterns, conferring them with remarkable mechanical properties. In the context of Continuum Mechanics, the majority of existing predictive methods are mechanism analogs which favor rigid folding and panel bending. While effective in predicting primary deformation modes, existing methods fall short in capturing the full spectrum of deformation of non-rigid foldable origami, such as the emergence of curvature along straight creases, local strain at vertices and warpage in panels. To fully capture the entire deformation spectrum and enhance the accuracy of existing methods, this paper introduces a homogenization framework for origami metamaterials where the faces are modeled as plate elements. Both asymptotic and energy-based homogenization methods are formulated and implemented. As a representative crease pattern, we examine the Miura origami sheet homogenized as an equivalent Kirchhoff-Love plate. The results reveal that certain effective elastic properties are nonlinearly related to both the initial fold angle and the crease stiffness. When benchmarked with results from fully resolved simulations, our framework yields errors up to 12.9\%, while existing models, including the bar-and-hinge model and the rigid-panel model, show up to 161\% error. The differences in errors are associated with the complex modes of crease and panel deformation in non-rigid origami, unexplored by the existing models. This work demonstrates a precise and efficient continuum framework for origami metamaterials as an effective strategy for predicting their elastic properties, understanding their mechanics, and designing their functionalities.

  • 4 authors
·
Aug 22, 2025

Flash-LLM: Enabling Cost-Effective and Highly-Efficient Large Generative Model Inference with Unstructured Sparsity

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.

  • 9 authors
·
Sep 18, 2023

Lossless Compression with Probabilistic Circuits

Despite extensive progress on image generation, common deep generative model architectures are not easily applied to lossless compression. For example, VAEs suffer from a compression cost overhead due to their latent variables. This overhead can only be partially eliminated with elaborate schemes such as bits-back coding, often resulting in poor single-sample compression rates. To overcome such problems, we establish a new class of tractable lossless compression models that permit efficient encoding and decoding: Probabilistic Circuits (PCs). These are a class of neural networks involving |p| computational units that support efficient marginalization over arbitrary subsets of the D feature dimensions, enabling efficient arithmetic coding. We derive efficient encoding and decoding schemes that both have time complexity O (log(D) cdot |p|), where a naive scheme would have linear costs in D and |p|, making the approach highly scalable. Empirically, our PC-based (de)compression algorithm runs 5-40 times faster than neural compression algorithms that achieve similar bitrates. By scaling up the traditional PC structure learning pipeline, we achieve state-of-the-art results on image datasets such as MNIST. Furthermore, PCs can be naturally integrated with existing neural compression algorithms to improve the performance of these base models on natural image datasets. Our results highlight the potential impact that non-standard learning architectures may have on neural data compression.

  • 3 authors
·
Nov 22, 2021

70% Size, 100% Accuracy: Lossless LLM Compression for Efficient GPU Inference via Dynamic-Length Float

Large Language Models (LLMs) have grown rapidly in size, creating significant challenges for efficient deployment on resource-constrained hardware. In this paper, we introduce Dynamic-Length Float (DFloat11), a lossless compression framework that reduces LLM size by 30% while preserving outputs that are bit-for-bit identical to the original model. DFloat11 is motivated by the low entropy in the BFloat16 weight representation of LLMs, which reveals significant inefficiency in existing storage format. By applying entropy coding, DFloat11 assigns dynamic-length encodings to weights based on frequency, achieving near information-optimal compression without any loss of precision. To facilitate efficient inference with dynamic-length encodings, we develop a custom GPU kernel for fast online decompression. Our design incorporates the following: (i) decomposition of memory-intensive lookup tables (LUTs) into compact LUTs that fit in GPU SRAM, (ii) a two-phase kernel for coordinating thread read/write positions using lightweight auxiliary variables, and (iii) transformer-block-level decompression to minimize latency. Experiments on recent models, including Llama-3.1, Qwen-2.5, and Gemma-3, validates our hypothesis that DFloat11 achieves around 30% model size reduction while preserving bit-for-bit exact outputs. Compared to a potential alternative of offloading parts of an uncompressed model to the CPU to meet memory constraints, DFloat11 achieves 1.9-38.8x higher throughput in token generation. With a fixed GPU memory budget, DFloat11 enables 5.3-13.17x longer context lengths than uncompressed models. Notably, our method enables lossless inference of Llama-3.1-405B, an 810GB model, on a single node equipped with 8x80GB GPUs. Our code and models are available at https://github.com/LeanModels/DFloat11.

  • 6 authors
·
Apr 15, 2025 5

Quantizing Large Language Models for Code Generation: A Differentiated Replication

Large Language Models (LLMs) have shown an impressive capability in code generation and, specifically, to automatically implement requirements described in natural language. The LLM effectiveness generally increases with its size: The higher the number of LLM's trainable parameters the better its ability to implement code. However, when it comes to deploying LLM-based code generators, larger LLMs pose significant challenges related to their memory (and, consequently, carbon) footprint. A previous work by Wei et al. proposed to leverage quantization techniques to reduce the memory footprint of LLM-based code generators without substantially degrading their effectiveness. In short, they studied LLMs featuring up to 16B parameters, quantizing their precision from floating point 32 bits down to int 8 bits and showing their limited impact on code generation performance. Given the fast pace at which LLM capabilities and quantization techniques are evolving, in this work we present a differentiated replication of the work by Wei et al. in which we consider (i) on the one side, more recent and larger code-related LLMs, of up to 34B parameters; (ii) the latest advancements in model quantization techniques, which allow pushing the compression to the extreme quantization level of 2 bits per model parameter and; (iii) different types of calibration datasets to guide the quantization process, including code-specific ones. Our empirical evaluation reveals that the new frontier for LLM quantization is 4-bit precision, resulting in an average memory footprint reduction of 70% compared to the original model without observing any significant decrease in performance. Additionally, when the quantization becomes even more extreme (3 and 2 bits), a code-specific calibration dataset helps to limit the loss of performance.

  • 5 authors
·
Mar 10, 2025 2

Model Compression and Efficient Inference for Large Language Models: A Survey

Transformer based large language models have achieved tremendous success. However, the significant memory and computational costs incurred during the inference process make it challenging to deploy large models on resource-constrained devices. In this paper, we investigate compression and efficient inference methods for large language models from an algorithmic perspective. Regarding taxonomy, similar to smaller models, compression and acceleration algorithms for large language models can still be categorized into quantization, pruning, distillation, compact architecture design, dynamic networks. However, Large language models have two prominent characteristics compared to smaller models: (1) Most of compression algorithms require finetuning or even retraining the model after compression. The most notable aspect of large models is the very high cost associated with model finetuning or training. Therefore, many algorithms for large models, such as quantization and pruning, start to explore tuning-free algorithms. (2) Large models emphasize versatility and generalization rather than performance on a single task. Hence, many algorithms, such as knowledge distillation, focus on how to preserving their versatility and generalization after compression. Since these two characteristics were not very pronounced in early large models, we further distinguish large language models into medium models and ``real'' large models. Additionally, we also provide an introduction to some mature frameworks for efficient inference of large models, which can support basic compression or acceleration algorithms, greatly facilitating model deployment for users.

  • 9 authors
·
Feb 15, 2024

Self-limiting stacks of curvature-frustrated colloidal plates: Roles of intra-particle versus inter-particle deformations

In geometrically frustrated assemblies local inter-subunit misfits propagate to intra-assembly strain gradients, giving rise to anomalous self-limiting assembly thermodynamics. Here, we use theory and coarse-grained simulation to study a recently developed class of ``curvamer'' particles, flexible shell-like particles that exhibit self-limiting assembly due to the build up of curvature deformation in cohesive stacks. To address a generic, yet poorly understood aspect of frustrated assembly, we introduce a model of curvamer assembly that incorporates both {\it intra-particle} shape deformation as well as compliance of {\it inter-particle} cohesive gaps, an effect we can attribute to a {\it finite range of attraction} between particles. We show that the ratio of intra-particle (bending elasticity) to inter-particle stiffness not only controls the regimes of self-limitation but also the nature of frustration propagation through curvamer stacks. We find a transition from uniformly-bound, curvature-focusing stacks at small size to gap-opened, uniformly curved stacks at large size is controlled by a dimensionless measure of inter- versus intra-curvamer stiffness. The finite range of inter-particle attraction determines range of cohesion in stacks are self-limiting, a prediction which is in strong agreement with numerical studies of our coarse-grained colloidal model. These predictions provide critical guidance for experimental realizations of frustrated particle systems designed to exhibit self-limitation at especially large multi-particle scales.

  • 3 authors
·
Mar 3, 2024

MatterGen: a generative model for inorganic materials design

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

  • 21 authors
·
Dec 6, 2023

Bi-Mamba: Towards Accurate 1-Bit State Space Models

The typical Selective State-Space Model (SSM) used in Mamba addresses several limitations of Transformers, such as the quadratic computational complexity with respect to sequence length and the significant memory requirements during inference due to the key-value (KV) cache. However, the increasing size of Mamba models continues to pose challenges for training and deployment, particularly due to their substantial computational demands during both training and inference. In this work, we introduce Bi-Mamba, a scalable and powerful 1-bit Mamba architecture designed to enable more efficient large language models (LLMs), with model sizes of 780M, 1.3B, and 2.7B parameters. Bi-Mamba models are trained from scratch on a standard LLM-scale dataset using an autoregressive distillation loss. Extensive experiments on language modeling benchmarks demonstrate that Bi-Mamba achieves performance comparable to its full-precision (FP16 or BF16) counterparts, while outperforming post-training binarization (PTB) Mamba and binarization-aware training (BAT) Transformer baselines. Moreover, Bi-Mamba drastically reduces memory usage and computational cost compared to the original Mamba. Our work pioneers a new line of linear-complexity LLMs under low-bit representation and provides the way for the design of specialized hardware optimized for efficient 1-bit Mamba-based models. Code and the pre-trained weights are available at https://github.com/Tangshengku/Bi-Mamba.

  • 5 authors
·
Nov 18, 2024