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Nov 19

An error indicator-based adaptive reduced order model for nonlinear structural mechanics -- application to high-pressure turbine blades

The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the temperature. For this application, the temperature loading is not accurately known and can reach values relatively close to the creep temperature: important nonlinear effects occur and the solution strongly depends on the used thermal loading. We consider a nonlinear reduced order model able to compute, in the exploitation phase, the behavior of the blade for a new temperature field loading. The sensitivity of the solution to the temperature makes {the classical unenriched proper orthogonal decomposition method} fail. In this work, we propose a new error indicator, quantifying the error made by the reduced order model in computational complexity independent of the size of the high-fidelity reference model. In our framework, when the {error indicator} becomes larger than a given tolerance, the reduced order model is updated using one time step solution of the high-fidelity reference model. The approach is illustrated on a series of academic test cases and applied on a setting of industrial complexity involving 5 million degrees of freedom, where the whole procedure is computed in parallel with distributed memory.

  • 2 authors
·
Apr 19, 2019

A Nonintrusive Distributed Reduced Order Modeling Framework for nonlinear structural mechanics -- application to elastoviscoplastic computations

In this work, we propose a framework that constructs reduced order models for nonlinear structural mechanics in a nonintrusive fashion, and can handle large scale simulations. We identify three steps that are carried out separately in time, and possibly on different devices: (i) the production of high-fidelity solutions by a commercial software, (ii) the offline stage of the model reduction and (iii) the online stage where the reduced order model is exploited. The nonintrusivity assumes that only the displacement field solution is known, and relies on operations on simulation data during the offline phase by using an in-house code. The compatibility with a new commercial code only needs the implementation of a routine converting the mesh and result format into our in-house data format. The nonintrusive capabilities of the framework are demonstrated on numerical experiments using commercial versions of the finite element softwares Zset and Ansys Mechanical. The nonlinear constitutive equations are evaluated by using the same external plugins as for Zset or Ansys Mechanical. The large scale simulations are handled using domain decomposition and parallel computing with distributed memory. The features and performances of the framework are evaluated on two numerical applications involving elastoviscoplastic materials: the second one involves a model of high-pressure blade, where the framework is used to extrapolate cyclic loadings in 6.5 hours, whereas the reference high-fidelity computation would take 9.5 days.

  • 5 authors
·
Dec 18, 2018

Reduced-Order Neural Operators: Learning Lagrangian Dynamics on Highly Sparse Graphs

We present a neural operator architecture to simulate Lagrangian dynamics, such as fluid flow, granular flows, and elastoplasticity. Traditional numerical methods, such as the finite element method (FEM), suffer from long run times and large memory consumption. On the other hand, approaches based on graph neural networks are faster but still suffer from long computation times on dense graphs, which are often required for high-fidelity simulations. Our model, GIOROM or Graph Interaction Operator for Reduced-Order Modeling, learns temporal dynamics within a reduced-order setting, capturing spatial features from a highly sparse graph representation of the input and generalizing to arbitrary spatial locations during inference. The model is geometry-aware and discretization-agnostic and can generalize to different initial conditions, velocities, and geometries after training. We show that point clouds of the order of 100,000 points can be inferred from sparse graphs with sim1000 points, with negligible change in computation time. We empirically evaluate our model on elastic solids, Newtonian fluids, Non-Newtonian fluids, Drucker-Prager granular flows, and von Mises elastoplasticity. On these benchmarks, our approach results in a 25times speedup compared to other neural network-based physics simulators while delivering high-fidelity predictions of complex physical systems and showing better performance on most benchmarks. The code and the demos are provided at https://github.com/HrishikeshVish/GIOROM.

  • 5 authors
·
Jul 4, 2024

GyroSwin: 5D Surrogates for Gyrokinetic Plasma Turbulence Simulations

Nuclear fusion plays a pivotal role in the quest for reliable and sustainable energy production. A major roadblock to viable fusion power is understanding plasma turbulence, which significantly impairs plasma confinement, and is vital for next-generation reactor design. Plasma turbulence is governed by the nonlinear gyrokinetic equation, which evolves a 5D distribution function over time. Due to its high computational cost, reduced-order models are often employed in practice to approximate turbulent transport of energy. However, they omit nonlinear effects unique to the full 5D dynamics. To tackle this, we introduce GyroSwin, the first scalable 5D neural surrogate that can model 5D nonlinear gyrokinetic simulations, thereby capturing the physical phenomena neglected by reduced models, while providing accurate estimates of turbulent heat transport.GyroSwin (i) extends hierarchical Vision Transformers to 5D, (ii) introduces cross-attention and integration modules for latent 3Dleftrightarrow5D interactions between electrostatic potential fields and the distribution function, and (iii) performs channelwise mode separation inspired by nonlinear physics. We demonstrate that GyroSwin outperforms widely used reduced numerics on heat flux prediction, captures the turbulent energy cascade, and reduces the cost of fully resolved nonlinear gyrokinetics by three orders of magnitude while remaining physically verifiable. GyroSwin shows promising scaling laws, tested up to one billion parameters, paving the way for scalable neural surrogates for gyrokinetic simulations of plasma turbulence.

Physics-informed cluster analysis and a priori efficiency criterion for the construction of local reduced-order bases

Nonlinear model order reduction has opened the door to parameter optimization and uncertainty quantification in complex physics problems governed by nonlinear equations. In particular, the computational cost of solving these equations can be reduced by means of local reduced-order bases. This article examines the benefits of a physics-informed cluster analysis for the construction of cluster-specific reduced-order bases. We illustrate that the choice of the dissimilarity measure for clustering is fundamental and highly affects the performances of the local reduced-order bases. It is shown that clustering with an angle-based dissimilarity on simulation data efficiently decreases the intra-cluster Kolmogorov N-width. Additionally, an a priori efficiency criterion is introduced to assess the relevance of a ROM-net, a methodology for the reduction of nonlinear physics problems introduced in our previous work in [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced Modeling and Simulation in Engineering Sciences 7 (16), 2020]. This criterion also provides engineers with a very practical method for ROM-nets' hyperparameters calibration under constrained computational costs for the training phase. On five different physics problems, our physics-informed clustering strategy significantly outperforms classic strategies for the construction of local reduced-order bases in terms of projection errors.

  • 5 authors
·
Mar 25, 2021

Learning fast, accurate, and stable closures of a kinetic theory of an active fluid

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

  • 3 authors
·
Aug 12, 2023

How to Robustify Black-Box ML Models? A Zeroth-Order Optimization Perspective

The lack of adversarial robustness has been recognized as an important issue for state-of-the-art machine learning (ML) models, e.g., deep neural networks (DNNs). Thereby, robustifying ML models against adversarial attacks is now a major focus of research. However, nearly all existing defense methods, particularly for robust training, made the white-box assumption that the defender has the access to the details of an ML model (or its surrogate alternatives if available), e.g., its architectures and parameters. Beyond existing works, in this paper we aim to address the problem of black-box defense: How to robustify a black-box model using just input queries and output feedback? Such a problem arises in practical scenarios, where the owner of the predictive model is reluctant to share model information in order to preserve privacy. To this end, we propose a general notion of defensive operation that can be applied to black-box models, and design it through the lens of denoised smoothing (DS), a first-order (FO) certified defense technique. To allow the design of merely using model queries, we further integrate DS with the zeroth-order (gradient-free) optimization. However, a direct implementation of zeroth-order (ZO) optimization suffers a high variance of gradient estimates, and thus leads to ineffective defense. To tackle this problem, we next propose to prepend an autoencoder (AE) to a given (black-box) model so that DS can be trained using variance-reduced ZO optimization. We term the eventual defense as ZO-AE-DS. In practice, we empirically show that ZO-AE- DS can achieve improved accuracy, certified robustness, and query complexity over existing baselines. And the effectiveness of our approach is justified under both image classification and image reconstruction tasks. Codes are available at https://github.com/damon-demon/Black-Box-Defense.

  • 7 authors
·
Mar 26, 2022

Fine-Tuning Language Models with Just Forward Passes

Fine-tuning language models (LMs) has yielded success on diverse downstream tasks, but as LMs grow in size, backpropagation requires a prohibitively large amount of memory. Zeroth-order (ZO) methods can in principle estimate gradients using only two forward passes but are theorized to be catastrophically slow for optimizing large models. In this work, we propose a memory-efficient zerothorder optimizer (MeZO), adapting the classical ZO-SGD method to operate in-place, thereby fine-tuning LMs with the same memory footprint as inference. For example, with a single A100 80GB GPU, MeZO can train a 30-billion parameter model, whereas fine-tuning with backpropagation can train only a 2.7B LM with the same budget. We conduct comprehensive experiments across model types (masked and autoregressive LMs), model scales (up to 66B), and downstream tasks (classification, multiple-choice, and generation). Our results demonstrate that (1) MeZO significantly outperforms in-context learning and linear probing; (2) MeZO achieves comparable performance to fine-tuning with backpropagation across multiple tasks, with up to 12x memory reduction; (3) MeZO is compatible with both full-parameter and parameter-efficient tuning techniques such as LoRA and prefix tuning; (4) MeZO can effectively optimize non-differentiable objectives (e.g., maximizing accuracy or F1). We support our empirical findings with theoretical insights, highlighting how adequate pre-training and task prompts enable MeZO to fine-tune huge models, despite classical ZO analyses suggesting otherwise.

  • 7 authors
·
May 26, 2023 2

Ferret: Federated Full-Parameter Tuning at Scale for Large Language Models

Large Language Models (LLMs) have become indispensable in numerous real-world applications. Unfortunately, fine-tuning these models at scale, especially in federated settings where data privacy and communication efficiency are critical, presents significant challenges. Existing methods often resort to parameter-efficient fine-tuning (PEFT) to mitigate communication overhead, but this typically comes at the cost of model accuracy. To address these limitations, we propose federated full-parameter tuning at scale for LLMs (Ferret), the first first-order method with shared randomness to enable scalable full-parameter tuning of LLMs across decentralized data sources while maintaining competitive model accuracy. Ferret accomplishes this through three aspects: (1) it employs widely applied first-order methods for efficient local updates; (2) it projects these updates into a low-dimensional space to considerably reduce communication overhead; and (3) it reconstructs local updates from this low-dimensional space with shared randomness to facilitate effective full-parameter global aggregation, ensuring fast convergence and competitive final performance. Our rigorous theoretical analyses and insights along with extensive experiments, show that Ferret significantly enhances the scalability of existing federated full-parameter tuning approaches by achieving high computational efficiency, reduced communication overhead, and fast convergence, all while maintaining competitive model accuracy. Our implementation is available at https://github.com/allen4747/Ferret.

  • 5 authors
·
Sep 10, 2024 2

DCPO: Dynamic Clipping Policy Optimization

Reinforcement Learning from Verifiable Rewards (RLVR) has emerged as a promising framework for enhancing the reasoning capabilities of large language models. However, existing approaches such as GRPO often suffer from zero gradients. This problem arises primarily due to fixed clipping bounds for token-level probability ratios and the standardization of identical rewards, which can lead to ineffective gradient updates and underutilization of generated responses. In this work, we propose Dynamic Clipping Policy Optimization (DCPO), which introduces a dynamic clipping strategy that adaptively adjusts the clipping bounds based on token-specific prior probabilities to enhance token-level exploration, and a smooth advantage standardization technique that standardizes rewards across cumulative training steps to improve the response-level effective utilization of generated responses. DCPO achieved state-of-the-art performance on four benchmarks based on four different models. In particular, DCPO achieved an Avg@1 of 46.7 under greedy decoding and an Avg@32 of 38.8 under 32 times sampling on the AIME24 benchmark, surpassing both DAPO (36.7/31.6) and GRPO (36.7/32.1) on the Qwen2.5-Math-7B model. On the AIME25 benchmark based on Qwen2.5-14B, DCPO achieves a performance of (23.3/19.0), surpassing GRPO (13.3/10.5) and DAPO (20.0/15.3). Furthermore, DCPO achieved an average 28% improvement in the nonzero advantage over GRPO in four models, doubled the training efficiency over DAPO, and significantly reduced the token clipping ratio by an order of magnitude compared to both GRPO and DAPO, while achieving superior performance. These results highlight DCPO's effectiveness in leveraging generated data more efficiently for reinforcement learning in large language models.

  • 7 authors
·
Sep 2 2

LightHGNN: Distilling Hypergraph Neural Networks into MLPs for $100\times$ Faster Inference

Hypergraph Neural Networks (HGNNs) have recently attracted much attention and exhibited satisfactory performance due to their superiority in high-order correlation modeling. However, it is noticed that the high-order modeling capability of hypergraph also brings increased computation complexity, which hinders its practical industrial deployment. In practice, we find that one key barrier to the efficient deployment of HGNNs is the high-order structural dependencies during inference. In this paper, we propose to bridge the gap between the HGNNs and inference-efficient Multi-Layer Perceptron (MLPs) to eliminate the hypergraph dependency of HGNNs and thus reduce computational complexity as well as improve inference speed. Specifically, we introduce LightHGNN and LightHGNN^+ for fast inference with low complexity. LightHGNN directly distills the knowledge from teacher HGNNs to student MLPs via soft labels, and LightHGNN^+ further explicitly injects reliable high-order correlations into the student MLPs to achieve topology-aware distillation and resistance to over-smoothing. Experiments on eight hypergraph datasets demonstrate that even without hypergraph dependency, the proposed LightHGNNs can still achieve competitive or even better performance than HGNNs and outperform vanilla MLPs by 16.3 on average. Extensive experiments on three graph datasets further show the average best performance of our LightHGNNs compared with all other methods. Experiments on synthetic hypergraphs with 5.5w vertices indicate LightHGNNs can run 100times faster than HGNNs, showcasing their ability for latency-sensitive deployments.

  • 4 authors
·
Feb 6, 2024

Localising In-Domain Adaptation of Transformer-Based Biomedical Language Models

In the era of digital healthcare, the huge volumes of textual information generated every day in hospitals constitute an essential but underused asset that could be exploited with task-specific, fine-tuned biomedical language representation models, improving patient care and management. For such specialized domains, previous research has shown that fine-tuning models stemming from broad-coverage checkpoints can largely benefit additional training rounds over large-scale in-domain resources. However, these resources are often unreachable for less-resourced languages like Italian, preventing local medical institutions to employ in-domain adaptation. In order to reduce this gap, our work investigates two accessible approaches to derive biomedical language models in languages other than English, taking Italian as a concrete use-case: one based on neural machine translation of English resources, favoring quantity over quality; the other based on a high-grade, narrow-scoped corpus natively written in Italian, thus preferring quality over quantity. Our study shows that data quantity is a harder constraint than data quality for biomedical adaptation, but the concatenation of high-quality data can improve model performance even when dealing with relatively size-limited corpora. The models published from our investigations have the potential to unlock important research opportunities for Italian hospitals and academia. Finally, the set of lessons learned from the study constitutes valuable insights towards a solution to build biomedical language models that are generalizable to other less-resourced languages and different domain settings.

  • 5 authors
·
Dec 20, 2022

A Web-based Mpox Skin Lesion Detection System Using State-of-the-art Deep Learning Models Considering Racial Diversity

The recent 'Mpox' outbreak, formerly known as 'Monkeypox', has become a significant public health concern and has spread to over 110 countries globally. The challenge of clinically diagnosing mpox early on is due, in part, to its similarity to other types of rashes. Computer-aided screening tools have been proven valuable in cases where Polymerase Chain Reaction (PCR) based diagnosis is not immediately available. Deep learning methods are powerful in learning complex data representations, but their efficacy largely depends on adequate training data. To address this challenge, we present the "Mpox Skin Lesion Dataset Version 2.0 (MSLD v2.0)" as a follow-up to the previously released openly accessible dataset, one of the first datasets containing mpox lesion images. This dataset contains images of patients with mpox and five other non-mpox classes (chickenpox, measles, hand-foot-mouth disease, cowpox, and healthy). We benchmark the performance of several state-of-the-art deep learning models, including VGG16, ResNet50, DenseNet121, MobileNetV2, EfficientNetB3, InceptionV3, and Xception, to classify mpox and other infectious skin diseases. In order to reduce the impact of racial bias, we utilize a color space data augmentation method to increase skin color variability during training. Additionally, by leveraging transfer learning implemented with pre-trained weights generated from the HAM10000 dataset, an extensive collection of pigmented skin lesion images, we achieved the best overall accuracy of 83.59pm2.11%. Finally, the developed models are incorporated within a prototype web application to analyze uploaded skin images by a user and determine whether a subject is a suspected mpox patient.

  • 8 authors
·
Jun 25, 2023

Classical Sorting Algorithms as a Model of Morphogenesis: self-sorting arrays reveal unexpected competencies in a minimal model of basal intelligence

The emerging field of Diverse Intelligence seeks to identify, formalize, and understand commonalities in behavioral competencies across a wide range of implementations. Especially interesting are simple systems that provide unexpected examples of memory, decision-making, or problem-solving in substrates that at first glance do not appear to be complex enough to implement such capabilities. We seek to develop tools to help understand the minimal requirements for such capabilities, and to learn to recognize and predict basal forms of intelligence in unconventional substrates. Here, we apply novel analyses to the behavior of classical sorting algorithms, short pieces of code which have been studied for many decades. To study these sorting algorithms as a model of biological morphogenesis and its competencies, we break two formerly-ubiquitous assumptions: top-down control (instead, showing how each element within a array of numbers can exert minimal agency and implement sorting policies from the bottom up), and fully reliable hardware (instead, allowing some of the elements to be "damaged" and fail to execute the algorithm). We quantitatively characterize sorting activity as the traversal of a problem space, showing that arrays of autonomous elements sort themselves more reliably and robustly than traditional implementations in the presence of errors. Moreover, we find the ability to temporarily reduce progress in order to navigate around a defect, and unexpected clustering behavior among the elements in chimeric arrays whose elements follow one of two different algorithms. The discovery of emergent problem-solving capacities in simple, familiar algorithms contributes a new perspective to the field of Diverse Intelligence, showing how basal forms of intelligence can emerge in simple systems without being explicitly encoded in their underlying mechanics.

  • 3 authors
·
Dec 15, 2023

Modeling of learning curves with applications to pos tagging

An algorithm to estimate the evolution of learning curves on the whole of a training data base, based on the results obtained from a portion and using a functional strategy, is introduced. We approximate iteratively the sought value at the desired time, independently of the learning technique used and once a point in the process, called prediction level, has been passed. The proposal proves to be formally correct with respect to our working hypotheses and includes a reliable proximity condition. This allows the user to fix a convergence threshold with respect to the accuracy finally achievable, which extends the concept of stopping criterion and seems to be effective even in the presence of distorting observations. Our aim is to evaluate the training effort, supporting decision making in order to reduce the need for both human and computational resources during the learning process. The proposal is of interest in at least three operational procedures. The first is the anticipation of accuracy gain, with the purpose of measuring how much work is needed to achieve a certain degree of performance. The second relates the comparison of efficiency between systems at training time, with the objective of completing this task only for the one that best suits our requirements. The prediction of accuracy is also a valuable item of information for customizing systems, since we can estimate in advance the impact of settings on both the performance and the development costs. Using the generation of part-of-speech taggers as an example application, the experimental results are consistent with our expectations.

  • 3 authors
·
Feb 4, 2024

ART$\boldsymbol{\cdot}$V: Auto-Regressive Text-to-Video Generation with Diffusion Models

We present ARTcdotV, an efficient framework for auto-regressive video generation with diffusion models. Unlike existing methods that generate entire videos in one-shot, ARTcdotV generates a single frame at a time, conditioned on the previous ones. The framework offers three distinct advantages. First, it only learns simple continual motions between adjacent frames, therefore avoiding modeling complex long-range motions that require huge training data. Second, it preserves the high-fidelity generation ability of the pre-trained image diffusion models by making only minimal network modifications. Third, it can generate arbitrarily long videos conditioned on a variety of prompts such as text, image or their combinations, making it highly versatile and flexible. To combat the common drifting issue in AR models, we propose masked diffusion model which implicitly learns which information can be drawn from reference images rather than network predictions, in order to reduce the risk of generating inconsistent appearances that cause drifting. Moreover, we further enhance generation coherence by conditioning it on the initial frame, which typically contains minimal noise. This is particularly useful for long video generation. When trained for only two weeks on four GPUs, ARTcdotV already can generate videos with natural motions, rich details and a high level of aesthetic quality. Besides, it enables various appealing applications, e.g., composing a long video from multiple text prompts.

  • 13 authors
·
Nov 30, 2023

MemoryFormer: Minimize Transformer Computation by Removing Fully-Connected Layers

In order to reduce the computational complexity of large language models, great efforts have been made to to improve the efficiency of transformer models such as linear attention and flash-attention. However, the model size and corresponding computational complexity are constantly scaled up in pursuit of higher performance. In this work, we present MemoryFormer, a novel transformer architecture which significantly reduces the computational complexity (FLOPs) from a new perspective. We eliminate nearly all the computations of the transformer model except for the necessary computation required by the multi-head attention operation. This is made possible by utilizing an alternative method for feature transformation to replace the linear projection of fully-connected layers. Specifically, we first construct a group of in-memory lookup tables that store a large amount of discrete vectors to replace the weight matrix used in linear projection. We then use a hash algorithm to retrieve a correlated subset of vectors dynamically based on the input embedding. The retrieved vectors combined together will form the output embedding, which provides an estimation of the result of matrix multiplication operation in a fully-connected layer. Compared to conducting matrix multiplication, retrieving data blocks from memory is a much cheaper operation which requires little computations. We train MemoryFormer from scratch and conduct extensive experiments on various benchmarks to demonstrate the effectiveness of the proposed model.

  • 9 authors
·
Nov 19, 2024

ZO2: Scalable Zeroth-Order Fine-Tuning for Extremely Large Language Models with Limited GPU Memory

Fine-tuning large pre-trained LLMs generally demands extensive GPU memory. Traditional first-order optimizers like SGD encounter substantial difficulties due to increased memory requirements from storing activations and gradients during both the forward and backward phases as the model size expands. Alternatively, zeroth-order (ZO) techniques can compute gradients using just forward operations, eliminating the need to store activations. Furthermore, by leveraging CPU capabilities, it's feasible to enhance both the memory and processing power available to a single GPU. We propose a novel framework, ZO2 (Zeroth-Order Offloading), for efficient zeroth-order fine-tuning of LLMs with only limited GPU memory. Our framework dynamically shifts model parameters between the CPU and GPU as required, optimizing computation flow and maximizing GPU usage by minimizing downtime. This integration of parameter adjustments with ZO's double forward operations reduces unnecessary data movement, enhancing the fine-tuning efficacy. Additionally, our framework supports an innovative low-bit precision approach in AMP mode to streamline data exchanges between the CPU and GPU. Employing this approach allows us to fine-tune extraordinarily large models, such as the OPT-175B with more than 175 billion parameters, on a mere 18GB GPU--achievements beyond the reach of traditional methods. Moreover, our framework achieves these results with almost no additional time overhead and absolutely no accuracy loss compared to standard zeroth-order methods. ZO2's code has been open-sourced in https://github.com/liangyuwang/zo2.

  • 7 authors
·
Mar 16

PreRoutGNN for Timing Prediction with Order Preserving Partition: Global Circuit Pre-training, Local Delay Learning and Attentional Cell Modeling

Pre-routing timing prediction has been recently studied for evaluating the quality of a candidate cell placement in chip design. It involves directly estimating the timing metrics for both pin-level (slack, slew) and edge-level (net delay, cell delay), without time-consuming routing. However, it often suffers from signal decay and error accumulation due to the long timing paths in large-scale industrial circuits. To address these challenges, we propose a two-stage approach. First, we propose global circuit training to pre-train a graph auto-encoder that learns the global graph embedding from circuit netlist. Second, we use a novel node updating scheme for message passing on GCN, following the topological sorting sequence of the learned graph embedding and circuit graph. This scheme residually models the local time delay between two adjacent pins in the updating sequence, and extracts the lookup table information inside each cell via a new attention mechanism. To handle large-scale circuits efficiently, we introduce an order preserving partition scheme that reduces memory consumption while maintaining the topological dependencies. Experiments on 21 real world circuits achieve a new SOTA R2 of 0.93 for slack prediction, which is significantly surpasses 0.59 by previous SOTA method. Code will be available at: https://github.com/Thinklab-SJTU/EDA-AI.

  • 7 authors
·
Feb 26, 2024

Pretraining Language Models with Human Preferences

Language models (LMs) are pretrained to imitate internet text, including content that would violate human preferences if generated by an LM: falsehoods, offensive comments, personally identifiable information, low-quality or buggy code, and more. Here, we explore alternative objectives for pretraining LMs in a way that also guides them to generate text aligned with human preferences. We benchmark five objectives for pretraining with human feedback across three tasks and study how they affect the trade-off between alignment and capabilities of pretrained LMs. We find a Pareto-optimal and simple approach among those we explored: conditional training, or learning distribution over tokens conditional on their human preference scores given by a reward model. Conditional training reduces the rate of undesirable content by up to an order of magnitude, both when generating without a prompt and with an adversarially-chosen prompt. Moreover, conditional training maintains the downstream task performance of standard LM pretraining, both before and after task-specific finetuning. Pretraining with human feedback results in much better preference satisfaction than standard LM pretraining followed by finetuning with feedback, i.e., learning and then unlearning undesirable behavior. Our results suggest that we should move beyond imitation learning when pretraining LMs and incorporate human preferences from the start of training.

  • 8 authors
·
Feb 16, 2023

DualFast: Dual-Speedup Framework for Fast Sampling of Diffusion Models

Diffusion probabilistic models (DPMs) have achieved impressive success in visual generation. While, they suffer from slow inference speed due to iterative sampling. Employing fewer sampling steps is an intuitive solution, but this will also introduces discretization error. Existing fast samplers make inspiring efforts to reduce discretization error through the adoption of high-order solvers, potentially reaching a plateau in terms of optimization. This raises the question: can the sampling process be accelerated further? In this paper, we re-examine the nature of sampling errors, discerning that they comprise two distinct elements: the widely recognized discretization error and the less explored approximation error. Our research elucidates the dynamics between these errors and the step by implementing a dual-error disentanglement strategy. Building on these foundations, we introduce an unified and training-free acceleration framework, DualFast, designed to enhance the speed of DPM sampling by concurrently accounting for both error types, thereby minimizing the total sampling error. DualFast is seamlessly compatible with existing samplers and significantly boost their sampling quality and speed, particularly in extremely few sampling steps. We substantiate the effectiveness of our framework through comprehensive experiments, spanning both unconditional and conditional sampling domains, across both pixel-space and latent-space DPMs.

  • 4 authors
·
Jun 15

Foundation Models for Discovery and Exploration in Chemical Space

Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to efficiently navigate chemical space. Scientific foundation models trained on large unlabeled datasets offer a path toward exploring chemical space across diverse application domains. Here we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenization scheme that comprehensively captures nuclear, electronic, and geometric information, MIST learns from a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure -- property relationships and match or exceed state-of-the-art performance across benchmarks spanning physiology, electrochemistry, and quantum chemistry. We demonstrate the ability of these models to solve real-world problems across chemical space, including multiobjective electrolyte solvent screening, olfactory perception mapping, isotope half-life prediction, stereochemical reasoning for chiral organometallic compounds, and binary and multi-component mixture property prediction. Probing MIST models using mechanistic interpretability methods reveals identifiable patterns and trends not explicitly present in the training data, suggesting that the models learn generalizable scientific concepts. We formulate hyperparameter-penalized Bayesian neural scaling laws and use them to reduce the computational cost of model development by an order of magnitude. The methods and findings presented here represent a significant step toward accelerating materials discovery, design, and optimization using foundation models and provide valuable guidance for training compute-optimal scientific foundation models.

  • 22 authors
·
Oct 20

Performance Trade-offs of Optimizing Small Language Models for E-Commerce

Large Language Models (LLMs) offer state-of-the-art performance in natural language understanding and generation tasks. However, the deployment of leading commercial models for specialized tasks, such as e-commerce, is often hindered by high computational costs, latency, and operational expenses. This paper investigates the viability of smaller, open-weight models as a resource-efficient alternative. We present a methodology for optimizing a one-billion-parameter Llama 3.2 model for multilingual e-commerce intent recognition. The model was fine-tuned using Quantized Low-Rank Adaptation (QLoRA) on a synthetically generated dataset designed to mimic real-world user queries. Subsequently, we applied post-training quantization techniques, creating GPU-optimized (GPTQ) and CPU-optimized (GGUF) versions. Our results demonstrate that the specialized 1B model achieves 99% accuracy, matching the performance of the significantly larger GPT-4.1 model. A detailed performance analysis revealed critical, hardware-dependent trade-offs: while 4-bit GPTQ reduced VRAM usage by 41%, it paradoxically slowed inference by 82% on an older GPU architecture (NVIDIA T4) due to dequantization overhead. Conversely, GGUF formats on a CPU achieved a speedup of up to 18x in inference throughput and a reduction of over 90% in RAM consumption compared to the FP16 baseline. We conclude that small, properly optimized open-weight models are not just a viable but a more suitable alternative for domain-specific applications, offering state-of-the-art accuracy at a fraction of the computational cost.

  • 2 authors
·
Oct 24 2

Label Critic: Design Data Before Models

As medical datasets rapidly expand, creating detailed annotations of different body structures becomes increasingly expensive and time-consuming. We consider that requesting radiologists to create detailed annotations is unnecessarily burdensome and that pre-existing AI models can largely automate this process. Following the spirit don't use a sledgehammer on a nut, we find that, rather than creating annotations from scratch, radiologists only have to review and edit errors if the Best-AI Labels have mistakes. To obtain the Best-AI Labels among multiple AI Labels, we developed an automatic tool, called Label Critic, that can assess label quality through tireless pairwise comparisons. Extensive experiments demonstrate that, when incorporated with our developed Image-Prompt pairs, pre-existing Large Vision-Language Models (LVLM), trained on natural images and texts, achieve 96.5% accuracy when choosing the best label in a pair-wise comparison, without extra fine-tuning. By transforming the manual annotation task (30-60 min/scan) into an automatic comparison task (15 sec/scan), we effectively reduce the manual efforts required from radiologists by an order of magnitude. When the Best-AI Labels are sufficiently accurate (81% depending on body structures), they will be directly adopted as the gold-standard annotations for the dataset, with lower-quality AI Labels automatically discarded. Label Critic can also check the label quality of a single AI Label with 71.8% accuracy when no alternatives are available for comparison, prompting radiologists to review and edit if the estimated quality is low (19% depending on body structures).

  • 7 authors
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Nov 4, 2024

Less is More: Selective Reduction of CT Data for Self-Supervised Pre-Training of Deep Learning Models with Contrastive Learning Improves Downstream Classification Performance

Self-supervised pre-training of deep learning models with contrastive learning is a widely used technique in image analysis. Current findings indicate a strong potential for contrastive pre-training on medical images. However, further research is necessary to incorporate the particular characteristics of these images. We hypothesize that the similarity of medical images hinders the success of contrastive learning in the medical imaging domain. To this end, we investigate different strategies based on deep embedding, information theory, and hashing in order to identify and reduce redundancy in medical pre-training datasets. The effect of these different reduction strategies on contrastive learning is evaluated on two pre-training datasets and several downstream classification tasks. In all of our experiments, dataset reduction leads to a considerable performance gain in downstream tasks, e.g., an AUC score improvement from 0.78 to 0.83 for the COVID CT Classification Grand Challenge, 0.97 to 0.98 for the OrganSMNIST Classification Challenge and 0.73 to 0.83 for a brain hemorrhage classification task. Furthermore, pre-training is up to nine times faster due to the dataset reduction. In conclusion, the proposed approach highlights the importance of dataset quality and provides a transferable approach to improve contrastive pre-training for classification downstream tasks on medical images.

  • 7 authors
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Oct 18, 2024

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
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Mar 12

GPTQ: Accurate Post-Training Quantization for Generative Pre-trained Transformers

Generative Pre-trained Transformer models, known as GPT or OPT, set themselves apart through breakthrough performance across complex language modelling tasks, but also by their extremely high computational and storage costs. Specifically, due to their massive size, even inference for large, highly-accurate GPT models may require multiple performant GPUs, which limits the usability of such models. While there is emerging work on relieving this pressure via model compression, the applicability and performance of existing compression techniques is limited by the scale and complexity of GPT models. In this paper, we address this challenge, and propose GPTQ, a new one-shot weight quantization method based on approximate second-order information, that is both highly-accurate and highly-efficient. Specifically, GPTQ can quantize GPT models with 175 billion parameters in approximately four GPU hours, reducing the bitwidth down to 3 or 4 bits per weight, with negligible accuracy degradation relative to the uncompressed baseline. Our method more than doubles the compression gains relative to previously-proposed one-shot quantization methods, preserving accuracy, allowing us for the first time to execute an 175 billion-parameter model inside a single GPU for generative inference. Moreover, we also show that our method can still provide reasonable accuracy in the extreme quantization regime, in which weights are quantized to 2-bit or even ternary quantization levels. We show experimentally that these improvements can be leveraged for end-to-end inference speedups over FP16, of around 3.25x when using high-end GPUs (NVIDIA A100) and 4.5x when using more cost-effective ones (NVIDIA A6000). The implementation is available at https://github.com/IST-DASLab/gptq.

  • 4 authors
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Oct 31, 2022