CLSep 21, 2023Code
MetaMath: Bootstrap Your Own Mathematical Questions for Large Language ModelsLonghui Yu, Weisen Jiang, Han Shi et al. · cambridge
Large language models (LLMs) have pushed the limits of natural language understanding and exhibited excellent problem-solving ability. Despite the great success, most existing open-source LLMs (e.g., LLaMA-2) are still far away from satisfactory for solving mathematical problem due to the complex reasoning procedures. To bridge this gap, we propose MetaMath, a fine-tuned language model that specializes in mathematical reasoning. Specifically, we start by bootstrapping mathematical questions by rewriting the question from multiple perspectives without extra knowledge, which results in a new dataset called MetaMathQA. Then we fine-tune the LLaMA-2 models on MetaMathQA. Experimental results on two popular benchmarks (i.e., GSM8K and MATH) for mathematical reasoning demonstrate that MetaMath outperforms a suite of open-source LLMs by a significant margin. Our MetaMath-7B model achieves 66.4% on GSM8K and 19.4% on MATH, exceeding the state-of-the-art models of the same size by 11.5% and 8.7%. Particularly, MetaMath-70B achieves an accuracy of 82.3% on GSM8K, slightly better than GPT-3.5-Turbo. We release all the MetaMathQA dataset, the MetaMath models with different model sizes and the training code for public use.
CVSep 12, 2023Code
Learning Disentangled Avatars with Hybrid 3D RepresentationsYao Feng, Weiyang Liu, Timo Bolkart et al. · amazon-science
Tremendous efforts have been made to learn animatable and photorealistic human avatars. Towards this end, both explicit and implicit 3D representations are heavily studied for a holistic modeling and capture of the whole human (e.g., body, clothing, face and hair), but neither representation is an optimal choice in terms of representation efficacy since different parts of the human avatar have different modeling desiderata. For example, meshes are generally not suitable for modeling clothing and hair. Motivated by this, we present Disentangled Avatars~(DELTA), which models humans with hybrid explicit-implicit 3D representations. DELTA takes a monocular RGB video as input, and produces a human avatar with separate body and clothing/hair layers. Specifically, we demonstrate two important applications for DELTA. For the first one, we consider the disentanglement of the human body and clothing and in the second, we disentangle the face and hair. To do so, DELTA represents the body or face with an explicit mesh-based parametric 3D model and the clothing or hair with an implicit neural radiance field. To make this possible, we design an end-to-end differentiable renderer that integrates meshes into volumetric rendering, enabling DELTA to learn directly from monocular videos without any 3D supervision. Finally, we show that how these two applications can be easily combined to model full-body avatars, such that the hair, face, body and clothing can be fully disentangled yet jointly rendered. Such a disentanglement enables hair and clothing transfer to arbitrary body shapes. We empirically validate the effectiveness of DELTA's disentanglement by demonstrating its promising performance on disentangled reconstruction, virtual clothing try-on and hairstyle transfer. To facilitate future research, we also release an open-sourced pipeline for the study of hybrid human avatar modeling.
CVJun 12, 2023
Controlling Text-to-Image Diffusion by Orthogonal FinetuningZeju Qiu, Weiyang Liu, Haiwen Feng et al. · cambridge
Large text-to-image diffusion models have impressive capabilities in generating photorealistic images from text prompts. How to effectively guide or control these powerful models to perform different downstream tasks becomes an important open problem. To tackle this challenge, we introduce a principled finetuning method -- Orthogonal Finetuning (OFT), for adapting text-to-image diffusion models to downstream tasks. Unlike existing methods, OFT can provably preserve hyperspherical energy which characterizes the pairwise neuron relationship on the unit hypersphere. We find that this property is crucial for preserving the semantic generation ability of text-to-image diffusion models. To improve finetuning stability, we further propose Constrained Orthogonal Finetuning (COFT) which imposes an additional radius constraint to the hypersphere. Specifically, we consider two important finetuning text-to-image tasks: subject-driven generation where the goal is to generate subject-specific images given a few images of a subject and a text prompt, and controllable generation where the goal is to enable the model to take in additional control signals. We empirically show that our OFT framework outperforms existing methods in generation quality and convergence speed.
LGMar 11, 2023
Generalizing and Decoupling Neural Collapse via Hyperspherical Uniformity GapWeiyang Liu, Longhui Yu, Adrian Weller et al. · cambridge
The neural collapse (NC) phenomenon describes an underlying geometric symmetry for deep neural networks, where both deeply learned features and classifiers converge to a simplex equiangular tight frame. It has been shown that both cross-entropy loss and mean square error can provably lead to NC. We remove NC's key assumption on the feature dimension and the number of classes, and then present a generalized neural collapse (GNC) hypothesis that effectively subsumes the original NC. Inspired by how NC characterizes the training target of neural networks, we decouple GNC into two objectives: minimal intra-class variability and maximal inter-class separability. We then use hyperspherical uniformity (which characterizes the degree of uniformity on the unit hypersphere) as a unified framework to quantify these two objectives. Finally, we propose a general objective -- hyperspherical uniformity gap (HUG), which is defined by the difference between inter-class and intra-class hyperspherical uniformity. HUG not only provably converges to GNC, but also decouples GNC into two separate objectives. Unlike cross-entropy loss that couples intra-class compactness and inter-class separability, HUG enjoys more flexibility and serves as a good alternative loss function. Empirical results show that HUG works well in terms of generalization and robustness.
LGJul 20, 2022
Structural Causal 3D ReconstructionWeiyang Liu, Zhen Liu, Liam Paull et al. · cambridge
This paper considers the problem of unsupervised 3D object reconstruction from in-the-wild single-view images. Due to ambiguity and intrinsic ill-posedness, this problem is inherently difficult to solve and therefore requires strong regularization to achieve disentanglement of different latent factors. Unlike existing works that introduce explicit regularizations into objective functions, we look into a different space for implicit regularization -- the structure of latent space. Specifically, we restrict the structure of latent space to capture a topological causal ordering of latent factors (i.e., representing causal dependency as a directed acyclic graph). We first show that different causal orderings matter for 3D reconstruction, and then explore several approaches to find a task-dependent causal factor ordering. Our experiments demonstrate that the latent space structure indeed serves as an implicit regularization and introduces an inductive bias beneficial for reconstruction.
GRMar 14, 2023
MeshDiffusion: Score-based Generative 3D Mesh ModelingZhen Liu, Yao Feng, Michael J. Black et al.
We consider the task of generating realistic 3D shapes, which is useful for a variety of applications such as automatic scene generation and physical simulation. Compared to other 3D representations like voxels and point clouds, meshes are more desirable in practice, because (1) they enable easy and arbitrary manipulation of shapes for relighting and simulation, and (2) they can fully leverage the power of modern graphics pipelines which are mostly optimized for meshes. Previous scalable methods for generating meshes typically rely on sub-optimal post-processing, and they tend to produce overly-smooth or noisy surfaces without fine-grained geometric details. To overcome these shortcomings, we take advantage of the graph structure of meshes and use a simple yet very effective generative modeling method to generate 3D meshes. Specifically, we represent meshes with deformable tetrahedral grids, and then train a diffusion model on this direct parametrization. We demonstrate the effectiveness of our model on multiple generative tasks.
LGOct 31, 2022
Iterative Teaching by Data HallucinationZeju Qiu, Weiyang Liu, Tim Z. Xiao et al. · cambridge
We consider the problem of iterative machine teaching, where a teacher sequentially provides examples based on the status of a learner under a discrete input space (i.e., a pool of finite samples), which greatly limits the teacher's capability. To address this issue, we study iterative teaching under a continuous input space where the input example (i.e., image) can be either generated by solving an optimization problem or drawn directly from a continuous distribution. Specifically, we propose data hallucination teaching (DHT) where the teacher can generate input data intelligently based on labels, the learner's status and the target concept. We study a number of challenging teaching setups (e.g., linear/neural learners in omniscient and black-box settings). Extensive empirical results verify the effectiveness of DHT.
CVNov 30, 2023
GraphDreamer: Compositional 3D Scene Synthesis from Scene GraphsGege Gao, Weiyang Liu, Anpei Chen et al.
As pretrained text-to-image diffusion models become increasingly powerful, recent efforts have been made to distill knowledge from these text-to-image pretrained models for optimizing a text-guided 3D model. Most of the existing methods generate a holistic 3D model from a plain text input. This can be problematic when the text describes a complex scene with multiple objects, because the vectorized text embeddings are inherently unable to capture a complex description with multiple entities and relationships. Holistic 3D modeling of the entire scene further prevents accurate grounding of text entities and concepts. To address this limitation, we propose GraphDreamer, a novel framework to generate compositional 3D scenes from scene graphs, where objects are represented as nodes and their interactions as edges. By exploiting node and edge information in scene graphs, our method makes better use of the pretrained text-to-image diffusion model and is able to fully disentangle different objects without image-level supervision. To facilitate modeling of object-wise relationships, we use signed distance fields as representation and impose a constraint to avoid inter-penetration of objects. To avoid manual scene graph creation, we design a text prompt for ChatGPT to generate scene graphs based on text inputs. We conduct both qualitative and quantitative experiments to validate the effectiveness of GraphDreamer in generating high-fidelity compositional 3D scenes with disentangled object entities.
LGAug 15, 2024Code
Can Large Language Models Understand Symbolic Graphics Programs?Zeju Qiu, Weiyang Liu, Haiwen Feng et al.
Against the backdrop of enthusiasm for large language models (LLMs), there is a growing need to scientifically assess their capabilities and shortcomings. This is nontrivial in part because it is difficult to find tasks which the models have not encountered during training. Utilizing symbolic graphics programs, we propose a domain well-suited to test multiple spatial-semantic reasoning skills of LLMs. Popular in computer graphics, these programs procedurally generate visual data. While LLMs exhibit impressive skills in general program synthesis and analysis, symbolic graphics programs offer a new layer of evaluation: they allow us to test an LLM's ability to answer semantic questions about the images or 3D geometries without a vision encoder. To semantically understand the symbolic programs, LLMs would need to possess the ability to "imagine" and reason how the corresponding graphics content would look with only the symbolic description of the local curvatures and strokes. We use this task to evaluate LLMs by creating a large benchmark for the semantic visual understanding of symbolic graphics programs, built procedurally with minimal human effort. Particular emphasis is placed on transformations of images that leave the image level semantics invariant while introducing significant changes to the underlying program. We evaluate commercial and open-source LLMs on our benchmark to assess their ability to reason about visual output of programs, finding that LLMs considered stronger at reasoning generally perform better. Lastly, we introduce a novel method to improve this ability -- Symbolic Instruction Tuning (SIT), in which the LLM is finetuned with pre-collected instruction data on symbolic graphics programs. Interestingly, we find that SIT not only improves LLM's understanding on symbolic programs, but it also improves general reasoning ability on various other benchmarks.
LGOct 11, 2022
Continual Learning by Modeling Intra-Class VariationLonghui Yu, Tianyang Hu, Lanqing Hong et al. · cambridge
It has been observed that neural networks perform poorly when the data or tasks are presented sequentially. Unlike humans, neural networks suffer greatly from catastrophic forgetting, making it impossible to perform life-long learning. To address this issue, memory-based continual learning has been actively studied and stands out as one of the best-performing methods. We examine memory-based continual learning and identify that large variation in the representation space is crucial for avoiding catastrophic forgetting. Motivated by this, we propose to diversify representations by using two types of perturbations: model-agnostic variation (i.e., the variation is generated without the knowledge of the learned neural network) and model-based variation (i.e., the variation is conditioned on the learned neural network). We demonstrate that enlarging representational variation serves as a general principle to improve continual learning. Finally, we perform empirical studies which demonstrate that our method, as a simple plug-and-play component, can consistently improve a number of memory-based continual learning methods by a large margin.
LGNov 2, 2022
Human-in-the-Loop MixupKatherine M. Collins, Umang Bhatt, Weiyang Liu et al. · cambridge
Aligning model representations to humans has been found to improve robustness and generalization. However, such methods often focus on standard observational data. Synthetic data is proliferating and powering many advances in machine learning; yet, it is not always clear whether synthetic labels are perceptually aligned to humans -- rendering it likely model representations are not human aligned. We focus on the synthetic data used in mixup: a powerful regularizer shown to improve model robustness, generalization, and calibration. We design a comprehensive series of elicitation interfaces, which we release as HILL MixE Suite, and recruit 159 participants to provide perceptual judgments along with their uncertainties, over mixup examples. We find that human perceptions do not consistently align with the labels traditionally used for synthetic points, and begin to demonstrate the applicability of these findings to potentially increase the reliability of downstream models, particularly when incorporating human uncertainty. We release all elicited judgments in a new data hub we call H-Mix.
77.5LGJun 3
Denoise First, Orthogonalize Later: Understanding Momentum in Muon via Spectral FilteringXianliang Li, Zihan Zhang, Weiyang Liu et al.
Muon has recently demonstrated strong empirical performance in large language model training, but the theoretical role of momentum in Muon remains unclear. Existing analyses of Muon either remove momentum to study spectral updates in isolation, or retain momentum without explaining why it improves empirical performance. Our work bridges this gap by showing momentum in Muon acts as a spectral filter. Under a structured signal-plus-perturbation gradient model, we prove that momentum suppresses perturbations while preserving the dominant signal, thereby enlarging the spectral gap between them. This enlarged gap stabilizes the singular subspaces of the matrix passed to Muon's orthogonalization step, making the resulting update more reliable. We further show that applying momentum before orthogonalization achieves provably stronger alignment with the signal component of the gradient than either reversing this order or simply removing momentum. Experiments across diverse tasks, including LLM pretraining, support our theoretical analysis. More broadly, our theory offers a starting point for understanding the benefits of momentum in other matrix-based optimizers.
LGJun 30, 2022
Data-Efficient Learning via Minimizing Hyperspherical EnergyXiaofeng Cao, Weiyang Liu, Ivor W. Tsang
Deep learning on large-scale data is dominant nowadays. The unprecedented scale of data has been arguably one of the most important driving forces for the success of deep learning. However, there still exist scenarios where collecting data or labels could be extremely expensive, e.g., medical imaging and robotics. To fill up this gap, this paper considers the problem of data-efficient learning from scratch using a small amount of representative data. First, we characterize this problem by active learning on homeomorphic tubes of spherical manifolds. This naturally generates feasible hypothesis class. With homologous topological properties, we identify an important connection -- finding tube manifolds is equivalent to minimizing hyperspherical energy (MHE) in physical geometry. Inspired by this connection, we propose a MHE-based active learning (MHEAL) algorithm, and provide comprehensive theoretical guarantees for MHEAL, covering convergence and generalization analysis. Finally, we demonstrate the empirical performance of MHEAL in a wide range of applications on data-efficient learning, including deep clustering, distribution matching, version space sampling and deep active learning.
LGJun 5, 2023
Nonparametric Iterative Machine TeachingChen Zhang, Xiaofeng Cao, Weiyang Liu et al.
In this paper, we consider the problem of Iterative Machine Teaching (IMT), where the teacher provides examples to the learner iteratively such that the learner can achieve fast convergence to a target model. However, existing IMT algorithms are solely based on parameterized families of target models. They mainly focus on convergence in the parameter space, resulting in difficulty when the target models are defined to be functions without dependency on parameters. To address such a limitation, we study a more general task -- Nonparametric Iterative Machine Teaching (NIMT), which aims to teach nonparametric target models to learners in an iterative fashion. Unlike parametric IMT that merely operates in the parameter space, we cast NIMT as a functional optimization problem in the function space. To solve it, we propose both random and greedy functional teaching algorithms. We obtain the iterative teaching dimension (ITD) of the random teaching algorithm under proper assumptions, which serves as a uniform upper bound of ITD in NIMT. Further, the greedy teaching algorithm has a significantly lower ITD, which reaches a tighter upper bound of ITD in NIMT. Finally, we verify the correctness of our theoretical findings with extensive experiments in nonparametric scenarios.
CVDec 5, 2022
One-shot Implicit Animatable Avatars with Model-based PriorsYangyi Huang, Hongwei Yi, Weiyang Liu et al.
Existing neural rendering methods for creating human avatars typically either require dense input signals such as video or multi-view images, or leverage a learned prior from large-scale specific 3D human datasets such that reconstruction can be performed with sparse-view inputs. Most of these methods fail to achieve realistic reconstruction when only a single image is available. To enable the data-efficient creation of realistic animatable 3D humans, we propose ELICIT, a novel method for learning human-specific neural radiance fields from a single image. Inspired by the fact that humans can effortlessly estimate the body geometry and imagine full-body clothing from a single image, we leverage two priors in ELICIT: 3D geometry prior and visual semantic prior. Specifically, ELICIT utilizes the 3D body shape geometry prior from a skinned vertex-based template model (i.e., SMPL) and implements the visual clothing semantic prior with the CLIP-based pretrained models. Both priors are used to jointly guide the optimization for creating plausible content in the invisible areas. Taking advantage of the CLIP models, ELICIT can use text descriptions to generate text-conditioned unseen regions. In order to further improve visual details, we propose a segmentation-based sampling strategy that locally refines different parts of the avatar. Comprehensive evaluations on multiple popular benchmarks, including ZJU-MoCAP, Human3.6M, and DeepFashion, show that ELICIT has outperformed strong baseline methods of avatar creation when only a single image is available. The code is public for research purposes at https://huangyangyi.github.io/ELICIT/.
QMSep 16, 2024
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug DesignShengchao Liu, Divin Yan, Weitao Du et al.
Artificial intelligence models have shown great potential in structure-based drug design, generating ligands with high binding affinities. However, existing models have often overlooked a crucial physical constraint: atoms must maintain a minimum pairwise distance to avoid separation violation, a phenomenon governed by the balance of attractive and repulsive forces. To mitigate such separation violations, we propose NucleusDiff. It models the interactions between atomic nuclei and their surrounding electron clouds by enforcing the distance constraint between the nuclei and manifolds. We quantitatively evaluate NucleusDiff using the CrossDocked2020 dataset and a COVID-19 therapeutic target, demonstrating that NucleusDiff reduces violation rate by up to 100.00% and enhances binding affinity by up to 22.16%, surpassing state-of-the-art models for structure-based drug design. We also provide qualitative analysis through manifold sampling, visually confirming the effectiveness of NucleusDiff in reducing separation violations and improving binding affinities.
LGNov 10, 2023
Parameter-Efficient Orthogonal Finetuning via Butterfly FactorizationWeiyang Liu, Zeju Qiu, Yao Feng et al.
Large foundation models are becoming ubiquitous, but training them from scratch is prohibitively expensive. Thus, efficiently adapting these powerful models to downstream tasks is increasingly important. In this paper, we study a principled finetuning paradigm -- Orthogonal Finetuning (OFT) -- for downstream task adaptation. Despite demonstrating good generalizability, OFT still uses a fairly large number of trainable parameters due to the high dimensionality of orthogonal matrices. To address this, we start by examining OFT from an information transmission perspective, and then identify a few key desiderata that enable better parameter-efficiency. Inspired by how the Cooley-Tukey fast Fourier transform algorithm enables efficient information transmission, we propose an efficient orthogonal parameterization using butterfly structures. We apply this parameterization to OFT, creating a novel parameter-efficient finetuning method, called Orthogonal Butterfly (BOFT). By subsuming OFT as a special case, BOFT introduces a generalized orthogonal finetuning framework. Finally, we conduct an extensive empirical study of adapting large vision transformers, large language models, and text-to-image diffusion models to various downstream tasks in vision and language.
CVOct 23, 2023
Ghost on the Shell: An Expressive Representation of General 3D ShapesZhen Liu, Yao Feng, Yuliang Xiu et al.
The creation of photorealistic virtual worlds requires the accurate modeling of 3D surface geometry for a wide range of objects. For this, meshes are appealing since they 1) enable fast physics-based rendering with realistic material and lighting, 2) support physical simulation, and 3) are memory-efficient for modern graphics pipelines. Recent work on reconstructing and statistically modeling 3D shape, however, has critiqued meshes as being topologically inflexible. To capture a wide range of object shapes, any 3D representation must be able to model solid, watertight, shapes as well as thin, open, surfaces. Recent work has focused on the former, and methods for reconstructing open surfaces do not support fast reconstruction with material and lighting or unconditional generative modelling. Inspired by the observation that open surfaces can be seen as islands floating on watertight surfaces, we parameterize open surfaces by defining a manifold signed distance field on watertight templates. With this parameterization, we further develop a grid-based and differentiable representation that parameterizes both watertight and non-watertight meshes of arbitrary topology. Our new representation, called Ghost-on-the-Shell (G-Shell), enables two important applications: differentiable rasterization-based reconstruction from multiview images and generative modelling of non-watertight meshes. We empirically demonstrate that G-Shell achieves state-of-the-art performance on non-watertight mesh reconstruction and generation tasks, while also performing effectively for watertight meshes.
89.3LGMay 27
PEFT-Arena: Understanding Parameter-Efficient Finetuning from a Stability-Plasticity PerspectiveYangyi Huang, Ruotian Peng, Zeju Qiu et al.
Parameter-efficient finetuning (PEFT) has become the standard approach for adapting large language models, yet evaluations largely emphasize downstream accuracy while overlooking the retention of pretrained capabilities. We argue that PEFT should be assessed through the stability-plasticity dilemma: the trade-off between target-task adaptation and resistance to forgetting. We introduce PEFT-Arena, a benchmark that jointly measures downstream performance and general capability retention. Across methods, we find distinct stability-plasticity profiles; under comparable parameter budgets, orthogonal finetuning achieves the most favorable Pareto frontier. To explain these differences, we analyze PEFT updates from two geometric perspectives. In weight space, spectral analysis reveals how parameterizations interact with the pretrained singular-value structure. In activation space, retention metrics show whether finetuning preserves or distorts general-capability representations, with forgetting linked to non-isometric representation distortion. Finally, an analysis shows that final SFT checkpoints often overshoot a better target-retention operating point. Inspired by this, we present case studies of a post-hoc improvement with path-wise rewinding.
CVOct 13, 2023
Pairwise Similarity Learning is SimPLEYandong Wen, Weiyang Liu, Yao Feng et al.
In this paper, we focus on a general yet important learning problem, pairwise similarity learning (PSL). PSL subsumes a wide range of important applications, such as open-set face recognition, speaker verification, image retrieval and person re-identification. The goal of PSL is to learn a pairwise similarity function assigning a higher similarity score to positive pairs (i.e., a pair of samples with the same label) than to negative pairs (i.e., a pair of samples with different label). We start by identifying a key desideratum for PSL, and then discuss how existing methods can achieve this desideratum. We then propose a surprisingly simple proxy-free method, called SimPLE, which requires neither feature/proxy normalization nor angular margin and yet is able to generalize well in open-set recognition. We apply the proposed method to three challenging PSL tasks: open-set face recognition, image retrieval and speaker verification. Comprehensive experimental results on large-scale benchmarks show that our method performs significantly better than current state-of-the-art methods.
97.6CVMar 10
Streaming Autoregressive Video Generation via Diagonal DistillationJinxiu Liu, Xuanming Liu, Kangfu Mei et al.
Large pretrained diffusion models have significantly enhanced the quality of generated videos, and yet their use in real-time streaming remains limited. Autoregressive models offer a natural framework for sequential frame synthesis but require heavy computation to achieve high fidelity. Diffusion distillation can compress these models into efficient few-step variants, but existing video distillation approaches largely adapt image-specific methods that neglect temporal dependencies. These techniques often excel in image generation but underperform in video synthesis, exhibiting reduced motion coherence, error accumulation over long sequences, and a latency-quality trade-off. We identify two factors that result in these limitations: insufficient utilization of temporal context during step reduction and implicit prediction of subsequent noise levels in next-chunk prediction (i.e., exposure bias). To address these issues, we propose Diagonal Distillation, which operates orthogonally to existing approaches and better exploits temporal information across both video chunks and denoising steps. Central to our approach is an asymmetric generation strategy: more steps early, fewer steps later. This design allows later chunks to inherit rich appearance information from thoroughly processed early chunks, while using partially denoised chunks as conditional inputs for subsequent synthesis. By aligning the implicit prediction of subsequent noise levels during chunk generation with the actual inference conditions, our approach mitigates error propagation and reduces oversaturation in long-range sequences. We further incorporate implicit optical flow modeling to preserve motion quality under strict step constraints. Our method generates a 5-second video in 2.61 seconds (up to 31 FPS), achieving a 277.3x speedup over the undistilled model.
LGMar 2Code
Rigidity-Aware Geometric Pretraining for Protein Design and Conformational EnsemblesZhanghan Ni, Yanjing Li, Zeju Qiu et al.
Generative models have recently advanced $\textit{de novo}$ protein design by learning the statistical regularities of natural structures. However, current approaches face three key limitations: (1) Existing methods cannot jointly learn protein geometry and design tasks, where pretraining can be a solution; (2) Current pretraining methods mostly rely on local, non-rigid atomic representations for property prediction downstream tasks, limiting global geometric understanding for protein generation tasks; and (3) Existing approaches have yet to effectively model the rich dynamic and conformational information of protein structures. To overcome these issues, we introduce $\textbf{RigidSSL}$ ($\textit{Rigidity-Aware Self-Supervised Learning}$), a geometric pretraining framework that front-loads geometry learning prior to generative finetuning. Phase I (RigidSSL-Perturb) learns geometric priors from 432K structures from the AlphaFold Protein Structure Database with simulated perturbations. Phase II (RigidSSL-MD) refines these representations on 1.3K molecular dynamics trajectories to capture physically realistic transitions. Underpinning both phases is a bi-directional, rigidity-aware flow matching objective that jointly optimizes translational and rotational dynamics to maximize mutual information between conformations. Empirically, RigidSSL variants improve designability by up to 43\% while enhancing novelty and diversity in unconditional generation. Furthermore, RigidSSL-Perturb improves the success rate by 5.8\% in zero-shot motif scaffolding and RigidSSL-MD captures more biophysically realistic conformational ensembles in G protein-coupled receptor modeling. The code is available at: https://github.com/ZhanghanNi/RigidSSL.git.
LGNov 17, 2023
Nonparametric Teaching for Multiple LearnersChen Zhang, Xiaofeng Cao, Weiyang Liu et al.
We study the problem of teaching multiple learners simultaneously in the nonparametric iterative teaching setting, where the teacher iteratively provides examples to the learner for accelerating the acquisition of a target concept. This problem is motivated by the gap between current single-learner teaching setting and the real-world scenario of human instruction where a teacher typically imparts knowledge to multiple students. Under the new problem formulation, we introduce a novel framework -- Multi-learner Nonparametric Teaching (MINT). In MINT, the teacher aims to instruct multiple learners, with each learner focusing on learning a scalar-valued target model. To achieve this, we frame the problem as teaching a vector-valued target model and extend the target model space from a scalar-valued reproducing kernel Hilbert space used in single-learner scenarios to a vector-valued space. Furthermore, we demonstrate that MINT offers significant teaching speed-up over repeated single-learner teaching, particularly when the multiple learners can communicate with each other. Lastly, we conduct extensive experiments to validate the practicality and efficiency of MINT.
CVApr 23, 2024Code
Re-Thinking Inverse Graphics With Large Language ModelsPeter Kulits, Haiwen Feng, Weiyang Liu et al.
Inverse graphics -- the task of inverting an image into physical variables that, when rendered, enable reproduction of the observed scene -- is a fundamental challenge in computer vision and graphics. Successfully disentangling an image into its constituent elements, such as the shape, color, and material properties of the objects of the 3D scene that produced it, requires a comprehensive understanding of the environment. This complexity limits the ability of existing carefully engineered approaches to generalize across domains. Inspired by the zero-shot ability of large language models (LLMs) to generalize to novel contexts, we investigate the possibility of leveraging the broad world knowledge encoded in such models to solve inverse-graphics problems. To this end, we propose the Inverse-Graphics Large Language Model (IG-LLM), an inverse-graphics framework centered around an LLM, that autoregressively decodes a visual embedding into a structured, compositional 3D-scene representation. We incorporate a frozen pre-trained visual encoder and a continuous numeric head to enable end-to-end training. Through our investigation, we demonstrate the potential of LLMs to facilitate inverse graphics through next-token prediction, without the application of image-space supervision. Our analysis enables new possibilities for precise spatial reasoning about images that exploit the visual knowledge of LLMs. We release our code and data at https://ig-llm.is.tue.mpg.de/ to ensure the reproducibility of our investigation and to facilitate future research.
CLApr 7, 2024Code
Your Finetuned Large Language Model is Already a Powerful Out-of-distribution DetectorAndi Zhang, Tim Z. Xiao, Weiyang Liu et al.
We revisit the likelihood ratio between a pretrained large language model (LLM) and its finetuned variant as a criterion for out-of-distribution (OOD) detection. The intuition behind such a criterion is that, the pretrained LLM has the prior knowledge about OOD data due to its large amount of training data, and once finetuned with the in-distribution data, the LLM has sufficient knowledge to distinguish their difference. Leveraging the power of LLMs, we show that, the likelihood ratio can serve as an effective OOD detection criterion. Moreover, we apply the proposed LLM-based likelihood ratio to detect OOD questions in question-answering (QA) systems, which can be used to improve the performance of specialized LLMs for general questions. Given that likelihood can be easily obtained by the loss functions within contemporary neural network frameworks, it is straightforward to implement this approach in practice. Since both the pretrained LLMs and its various finetuned models are widely available from online platforms such as Hugging Face, our proposed criterion can be effortlessly incorporated for OOD detection without the need for further training. We conduct comprehensive evaluation across on multiple settings, including far OOD, near OOD, spam detection, and QA scenarios, to demonstrate the effectiveness of the method. Code can be found at https://github.com/andiac/LLMOODratio
85.5LGMay 18
AMO: Adaptive Muon OrthogonalizationXinlin Zhuang, Panyi Ouyang, Yichen Li et al.
Muon has recently emerged as a competitive alternative to AdamW for large-scale pre-training, with orthogonalization via Newton-Schulz (NS) iterations as its core operation. Existing Muon variants apply a uniform NS schedule to all parameter matrices, overlooking possible differences in orthogonalization difficulty and its impact on performance. Through a systematic empirical study, we show that this per-matrix heterogeneity is pervasive and largely determined by matrix geometry, which evolves dynamically across operator types, training stages, and network depths. As a result, uniform NS schedules can lead to uneven orthogonalization quality across the model. Motivated by these findings, we propose Adaptive Muon Orthogonalization (AMO), an observe-then-commit method that measures weight geometry by operator type early in training and then uses these signals to allocate the NS budget for the remainder of training. AMO delivers consistent improvements over uniform-schedule Muon across standard, prolonged, and continual pre-training, surpassing the strongest baseline by +0.76 on Llama3.1-1.4B and +0.51 on Qwen3-1.7B in average downstream performance of 12 evaluation tasks.
LGDec 4, 2025
Value Gradient Guidance for Flow Matching AlignmentZhen Liu, Tim Z. Xiao, Carles Domingo-Enrich et al.
While methods exist for aligning flow matching models--a popular and effective class of generative models--with human preferences, existing approaches fail to achieve both adaptation efficiency and probabilistically sound prior preservation. In this work, we leverage the theory of optimal control and propose VGG-Flow, a gradient-matching-based method for finetuning pretrained flow matching models. The key idea behind this algorithm is that the optimal difference between the finetuned velocity field and the pretrained one should be matched with the gradient field of a value function. This method not only incorporates first-order information from the reward model but also benefits from heuristic initialization of the value function to enable fast adaptation. Empirically, we show on a popular text-to-image flow matching model, Stable Diffusion 3, that our method can finetune flow matching models under limited computational budgets while achieving effective and prior-preserving alignment.
95.0CLMar 28
Rethinking Easy-to-Hard: Limits of Curriculum Learning in Post-Training for Deductive ReasoningMaximilian Mordig, Andreas Opedal, Weiyang Liu et al.
Curriculum learning (CL), motivated by the intuition that learning in increasing order of difficulty should ease generalization, is commonly adopted both in pre-training and post-training of large language models (LLMs). The intuition of CL is particularly compelling for compositional reasoning, where complex problems are built from elementary inference rules; however, the actual impact of CL on such tasks remains largely underexplored. We present a systematic empirical study of CL for post-training of LLMs, using synthetic arithmetic and logical benchmarks where difficulty is characterized by reasoning complexity rather than surface-level proxies. Surprisingly, across multiple model families and curriculum schedules, we find no robust advantage in difficulty-based sequencing over standard random sampling in either accuracy or response length. These findings persist across both supervised fine-tuning (SFT) and reinforcement learning (RL) methods. Our study suggests that, in the context of deductive reasoning, the specific ordering of training examples plays a negligible role in achieving compositional generalization, challenging the practical utility of curriculum-based post-training.
CVSep 5, 2025Code
Symbolic Graphics Programming with Large Language ModelsYamei Chen, Haoquan Zhang, Yangyi Huang et al.
Large language models (LLMs) excel at program synthesis, yet their ability to produce symbolic graphics programs (SGPs) that render into precise visual content remains underexplored. We study symbolic graphics programming, where the goal is to generate an SGP from a natural-language description. This task also serves as a lens into how LLMs understand the visual world by prompting them to generate images rendered from SGPs. Among various SGPs, our paper sticks to scalable vector graphics (SVGs). We begin by examining the extent to which LLMs can generate SGPs. To this end, we introduce SGP-GenBench, a comprehensive benchmark covering object fidelity, scene fidelity, and compositionality (attribute binding, spatial relations, numeracy). On SGP-GenBench, we discover that frontier proprietary models substantially outperform open-source models, and performance correlates well with general coding capabilities. Motivated by this gap, we aim to improve LLMs' ability to generate SGPs. We propose a reinforcement learning (RL) with verifiable rewards approach, where a format-validity gate ensures renderable SVG, and a cross-modal reward aligns text and the rendered image via strong vision encoders (e.g., SigLIP for text-image and DINO for image-image). Applied to Qwen-2.5-7B, our method substantially improves SVG generation quality and semantics, achieving performance on par with frontier systems. We further analyze training dynamics, showing that RL induces (i) finer decomposition of objects into controllable primitives and (ii) contextual details that improve scene coherence. Our results demonstrate that symbolic graphics programming offers a precise and interpretable lens on cross-modal grounding.
80.5LGMay 12
Pion: A Spectrum-Preserving Optimizer via Orthogonal Equivalence TransformationKexuan Shi, Hanxuan Li, Zeju Qiu et al.
We introduce Pion, a spectrum-preserving optimizer for large language model (LLM) training based on orthogonal equivalence transformation. Unlike additive optimizers such as Adam and Muon, Pion updates each weight matrix through left and right orthogonal transformations, preserving its singular values throughout training. This yields an optimization mechanism that modulates the geometry of weight matrices while keeping their spectral norm fixed. We derive the Pion update rule, systematically examine its design choices, and analyze its convergence behavior along with several key properties. Empirical results show that Pion offers a stable and competitive alternative to standard optimizers for both LLM pretraining and finetuning.
AIOct 16, 2025Code
Agentic Design of Compositional MachinesWenqian Zhang, Weiyang Liu, Zhen Liu
The design of complex machines stands as both a marker of human intelligence and a foundation of engineering practice. Given recent advances in large language models (LLMs), we ask whether they, too, can learn to create. We approach this question through the lens of compositional machine design: a task in which machines are assembled from standardized components to meet functional demands like locomotion or manipulation in a simulated physical environment. With this simplification, machine design is expressed as writing XML-like code that explicitly specifies pairwise part connections. To support this investigation, we introduce BesiegeField, a testbed built on the machine-building game Besiege, which enables part-based construction, physical simulation and reward-driven evaluation. Using BesiegeField, we benchmark state-of-the-art LLMs with agentic workflows and identify key capabilities required for success, including spatial reasoning, strategic assembly, and instruction-following. As current open-source models fall short, we explore reinforcement learning (RL) as a path to improvement: we curate a cold-start dataset, conduct RL finetuning experiments, and highlight open challenges at the intersection of language, machine design, and physical reasoning.
CVJan 17, 2018Code
Additive Margin Softmax for Face VerificationFeng Wang, Weiyang Liu, Haijun Liu et al.
In this paper, we propose a conceptually simple and geometrically interpretable objective function, i.e. additive margin Softmax (AM-Softmax), for deep face verification. In general, the face verification task can be viewed as a metric learning problem, so learning large-margin face features whose intra-class variation is small and inter-class difference is large is of great importance in order to achieve good performance. Recently, Large-margin Softmax and Angular Softmax have been proposed to incorporate the angular margin in a multiplicative manner. In this work, we introduce a novel additive angular margin for the Softmax loss, which is intuitively appealing and more interpretable than the existing works. We also emphasize and discuss the importance of feature normalization in the paper. Most importantly, our experiments on LFW BLUFR and MegaFace show that our additive margin softmax loss consistently performs better than the current state-of-the-art methods using the same network architecture and training dataset. Our code has also been made available at https://github.com/happynear/AMSoftmax
CLDec 16, 2024
SepLLM: Accelerate Large Language Models by Compressing One Segment into One SeparatorGuoxuan Chen, Han Shi, Jiawei Li et al.
Large Language Models (LLMs) have exhibited exceptional performance across a spectrum of natural language processing tasks. However, their substantial sizes pose considerable challenges, particularly in computational demands and inference speed, due to their quadratic complexity. In this work, we have identified a key pattern: certain seemingly meaningless separator tokens (i.e., punctuations) contribute disproportionately to attention scores compared to semantically meaningful tokens. This observation suggests that information of the segments between these separator tokens can be effectively condensed into the separator tokens themselves without significant information loss. Guided by this insight, we introduce SepLLM, a plug-and-play framework that accelerates inference by compressing these segments and eliminating redundant tokens. Additionally, we implement efficient kernels for training acceleration. Experimental results across training-free, training-from-scratch, and post-training settings demonstrate SepLLM's effectiveness. Notably, using the Llama-3-8B backbone, SepLLM achieves over 50% reduction in KV cache on the GSM8K-CoT benchmark while maintaining comparable performance. Furthermore, in streaming settings, SepLLM effectively processes sequences of up to 4 million tokens or more while maintaining consistent language modeling capabilities.
AIMay 5, 2025
FormalMATH: Benchmarking Formal Mathematical Reasoning of Large Language ModelsZhouliang Yu, Ruotian Peng, Keyi Ding et al.
Formal mathematical reasoning remains a critical challenge for artificial intelligence, hindered by limitations of existing benchmarks in scope and scale. To address this, we present FormalMATH, a large-scale Lean4 benchmark comprising 5,560 formally verified problems spanning from high-school Olympiad challenges to undergraduate-level theorems across diverse domains (e.g., algebra, applied mathematics, calculus, number theory, and discrete mathematics). To mitigate the inefficiency of manual formalization, we introduce a novel human-in-the-loop autoformalization pipeline that integrates: (1) specialized large language models (LLMs) for statement autoformalization, (2) multi-LLM semantic verification, and (3) negation-based disproof filtering strategies using off-the-shelf LLM-based provers. This approach reduces expert annotation costs by retaining 72.09% of statements before manual verification while ensuring fidelity to the original natural-language problems. Our evaluation of state-of-the-art LLM-based theorem provers reveals significant limitations: even the strongest models achieve only 16.46% success rate under practical sampling budgets, exhibiting pronounced domain bias (e.g., excelling in algebra but failing in calculus) and over-reliance on simplified automation tactics. Notably, we identify a counterintuitive inverse relationship between natural-language solution guidance and proof success in chain-of-thought reasoning scenarios, suggesting that human-written informal reasoning introduces noise rather than clarity in the formal reasoning settings. We believe that FormalMATH provides a robust benchmark for benchmarking formal mathematical reasoning.
LGDec 10, 2024
Efficient Diversity-Preserving Diffusion Alignment via Gradient-Informed GFlowNetsZhen Liu, Tim Z. Xiao, Weiyang Liu et al. · mila
While one commonly trains large diffusion models by collecting datasets on target downstream tasks, it is often desired to align and finetune pretrained diffusion models with some reward functions that are either designed by experts or learned from small-scale datasets. Existing post-training methods for reward finetuning of diffusion models typically suffer from lack of diversity in generated samples, lack of prior preservation, and/or slow convergence in finetuning. In response to this challenge, we take inspiration from recent successes in generative flow networks (GFlowNets) and propose a reinforcement learning method for diffusion model finetuning, dubbed Nabla-GFlowNet (abbreviated as $\nabla$-GFlowNet), that leverages the rich signal in reward gradients for probabilistic diffusion finetuning. We show that our proposed method achieves fast yet diversity- and prior-preserving finetuning of Stable Diffusion, a large-scale text-conditioned image diffusion model, on different realistic reward functions.
AIDec 2, 2024
VERA: Explainable Video Anomaly Detection via Verbalized Learning of Vision-Language ModelsMuchao Ye, Weiyang Liu, Pan He
The rapid advancement of vision-language models (VLMs) has established a new paradigm in video anomaly detection (VAD): leveraging VLMs to simultaneously detect anomalies and provide comprehendible explanations for the decisions. Existing work in this direction often assumes the complex reasoning required for VAD exceeds the capabilities of pretrained VLMs. Consequently, these approaches either incorporate specialized reasoning modules during inference or rely on instruction tuning datasets through additional training to adapt VLMs for VAD. However, such strategies often incur substantial computational costs or data annotation overhead. To address these challenges in explainable VAD, we introduce a verbalized learning framework named VERA that enables VLMs to perform VAD without model parameter modifications. Specifically, VERA automatically decomposes the complex reasoning required for VAD into reflections on simpler, more focused guiding questions capturing distinct abnormal patterns. It treats these reflective questions as learnable parameters and optimizes them through data-driven verbal interactions between learner and optimizer VLMs, using coarsely labeled training data. During inference, VERA embeds the learned questions into model prompts to guide VLMs in generating segment-level anomaly scores, which are then refined into frame-level scores via the fusion of scene and temporal contexts. Experimental results on challenging benchmarks demonstrate that the learned questions of VERA are highly adaptable, significantly improving both detection performance and explainability of VLMs for VAD.
LGFeb 5
Orthogonal Model MergingSihan Yang, Kexuan Shi, Weiyang Liu
Merging finetuned Large Language Models (LLMs) has become increasingly important for integrating diverse capabilities into a single unified model. However, prevailing model merging methods rely on linear arithmetic in Euclidean space, which often destroys the intrinsic geometric properties of pretrained weights, such as hyperspherical energy. To address this, we propose Orthogonal Model Merging (OrthoMerge), a method that performs merging operations on the Riemannian manifold formed by the orthogonal group to preserve the geometric structure of the model's weights. By mapping task-specific orthogonal matrices learned by Orthogonal Finetuning (OFT) to the Lie algebra, OrthoMerge enables a principled yet efficient integration that takes into account both the direction and intensity of adaptations. In addition to directly leveraging orthogonal matrices obtained by OFT, we further extend this approach to general models finetuned with non-OFT methods (i.e., low-rank finetuning, full finetuning) via an Orthogonal-Residual Decoupling strategy. This technique extracts the orthogonal components of expert models by solving the orthogonal Procrustes problem, which are then merged on the manifold of the orthogonal group, while the remaining linear residuals are processed through standard additive merging. Extensive empirical results demonstrate the effectiveness of OrthoMerge in mitigating catastrophic forgetting and maintaining model performance across diverse tasks.
MLDec 31, 2023
A Compact Representation for Bayesian Neural Networks By Removing Permutation SymmetryTim Z. Xiao, Weiyang Liu, Robert Bamler
Bayesian neural networks (BNNs) are a principled approach to modeling predictive uncertainties in deep learning, which are important in safety-critical applications. Since exact Bayesian inference over the weights in a BNN is intractable, various approximate inference methods exist, among which sampling methods such as Hamiltonian Monte Carlo (HMC) are often considered the gold standard. While HMC provides high-quality samples, it lacks interpretable summary statistics because its sample mean and variance is meaningless in neural networks due to permutation symmetry. In this paper, we first show that the role of permutations can be meaningfully quantified by a number of transpositions metric. We then show that the recently proposed rebasin method allows us to summarize HMC samples into a compact representation that provides a meaningful explicit uncertainty estimate for each weight in a neural network, thus unifying sampling methods with variational inference. We show that this compact representation allows us to compare trained BNNs directly in weight space across sampling methods and variational inference, and to efficiently prune neural networks trained without explicit Bayesian frameworks by exploiting uncertainty estimates from HMC.
AIFeb 7, 2025
Generating Symbolic World Models via Test-time Scaling of Large Language ModelsZhouliang Yu, Yuhuan Yuan, Tim Z. Xiao et al.
Solving complex planning problems requires Large Language Models (LLMs) to explicitly model the state transition to avoid rule violations, comply with constraints, and ensure optimality-a task hindered by the inherent ambiguity of natural language. To overcome such ambiguity, Planning Domain Definition Language (PDDL) is leveraged as a planning abstraction that enables precise and formal state descriptions. With PDDL, we can generate a symbolic world model where classic searching algorithms, such as A*, can be seamlessly applied to find optimal plans. However, directly generating PDDL domains with current LLMs remains an open challenge due to the lack of PDDL training data. To address this challenge, we propose to scale up the test-time computation of LLMs to enhance their PDDL reasoning capabilities, thereby enabling the generation of high-quality PDDL domains. Specifically, we introduce a simple yet effective algorithm, which first employs a Best-of-N sampling approach to improve the quality of the initial solution and then refines the solution in a fine-grained manner with verbalized machine learning. Our method outperforms o1-mini by a considerable margin in the generation of PDDL domains, achieving over 50\% success rate on two tasks (i.e., generating PDDL domains from natural language description or PDDL problems). This is done without requiring additional training. By taking advantage of PDDL as state abstraction, our method is able to outperform current state-of-the-art methods on almost all competition-level planning tasks.
CVMay 7, 2024
ChatHuman: Chatting about 3D Humans with ToolsJing Lin, Yao Feng, Weiyang Liu et al.
Numerous methods have been proposed to detect, estimate, and analyze properties of people in images, including 3D pose, shape, contact, human-object interaction, and emotion. While widely applicable in vision and other areas, such methods require expert knowledge to select, use, and interpret the results. To address this, we introduce ChatHuman, a language-driven system that integrates the capabilities of specialized methods into a unified framework. ChatHuman functions as an assistant proficient in utilizing, analyzing, and interacting with tools specific to 3D human tasks, adeptly discussing and resolving related challenges. Built on a Large Language Model (LLM) framework, ChatHuman is trained to autonomously select, apply, and interpret a diverse set of tools in response to user inputs. Our approach overcomes significant hurdles in adapting LLMs to 3D human tasks, including the need for domain-specific knowledge and the ability to interpret complex 3D outputs. The innovations of ChatHuman include leveraging academic publications to instruct the LLM on tool usage, employing a retrieval-augmented generation model to create in-context learning examples for managing new tools, and effectively discriminating between and integrating tool results by transforming specialized 3D outputs into comprehensible formats. Experiments demonstrate that ChatHuman surpasses existing models in both tool selection accuracy and overall performance across various 3D human tasks, and it supports interactive chatting with users. ChatHuman represents a significant step toward consolidating diverse analytical methods into a unified, robust system for 3D human tasks.
AIOct 16, 2025
SimKO: Simple Pass@K Policy OptimizationRuotian Peng, Yi Ren, Zhouliang Yu et al.
Reinforcement learning with verifiable rewards (RLVR) has advanced the reasoning capabilities of large language models (LLMs). However, prevailing RLVR methods exhibit a systematic bias toward exploitation over exploration, as evidenced by improved pass@1 but reduced pass@K (K>1) performance. To understand this issue, we analyze training dynamics of RLVR methods by tracking the token-level probability distributions over vocabulary candidates. Our analysis reveals a consistent probability concentration effect where the top-1 candidate increasingly accumulates probability mass and suppresses that of other candidates. More importantly, stronger over-concentration correlates with worse pass@K performance. Inspired by this finding, we propose Simple Pass@K Optimization (SimKO), a method designed to mitigate the over-concentration issue, thereby encouraging exploration. SimKO operates in an asymmetrical manner. For verified-correct responses, it boosts the probabilities of the top-K candidates. For verified-incorrect responses, it applies stronger penalties to the top-1 candidate. We observe that this asymmetric design is particularly effective at mitigating over-concentration when applied at tokens with high entropy. Across various math and logical-reasoning benchmarks, SimKO consistently yields higher pass@K for a wide range of K, providing a simple way to improve RLVR's exploration.
LGJun 9, 2025
Reparameterized LLM Training via Orthogonal Equivalence TransformationZeju Qiu, Simon Buchholz, Tim Z. Xiao et al.
While large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we propose POET, a novel reParameterized training algorithm that uses Orthogonal Equivalence Transformation to optimize neurons. Specifically, POET reparameterizes each neuron with two learnable orthogonal matrices and a fixed random weight matrix. Because of its provable preservation of spectral properties of weight matrices, POET can stably optimize the objective function with improved generalization. We further develop efficient approximations that make POET flexible and scalable for training large-scale neural networks. Extensive experiments validate the effectiveness and scalability of POET in training LLMs.
LGJun 24, 2025
Orthogonal Finetuning Made ScalableZeju Qiu, Weiyang Liu, Adrian Weller et al.
Orthogonal finetuning (OFT) offers highly parameter-efficient adaptation while preventing catastrophic forgetting, but its high runtime and memory demands limit practical deployment. We identify the core computational bottleneck in OFT as its weight-centric implementation, which relies on costly matrix-matrix multiplications with cubic complexity. To overcome this, we propose OFTv2, an input-centric reformulation that instead uses matrix-vector multiplications (i.e., matrix-free computation), reducing the computational cost to quadratic. We further introduce the Cayley-Neumann parameterization, an efficient orthogonal parameterization that approximates the matrix inversion in the Cayley transform via a truncated Neumann series. These modifications allow OFTv2 to achieve up to 10x faster training and 3x lower GPU memory usage without compromising performance. In addition, we extend OFTv2 to support finetuning quantized foundation models and show that it outperforms the popular QLoRA in training stability, efficiency, and memory usage.
LGFeb 16, 2025
On the Effect of Sampling Diversity in Scaling LLM InferenceTianchun Wang, Zichuan Liu, Yuanzhou Chen et al.
Large language model (LLM) scaling inference is key to unlocking greater performance, and leveraging diversity has proven an effective way to enhance it. Motivated by the observed relationship between solution accuracy and meaningful response diversity, we systematically study the effect of prompt diversity in scaling inference. We theoretically explain why diversified sampling improves Best-of-$N$ scaling, showing that responses generated from meaningful diverse prompts after Best-of-$N$ selection exhibit significantly lower error rates than those produced from stationary prompts. To promote solution diversity, we analyze perturbation fidelity and show that moderately relevant perturbations improve performance, providing guidance for effective perturbation design. Further, we present a set of effective perturbations, including task-level and query-level ones, and analyze the conditions under which they succeed. We systematically evaluate diversified sampling across tasks, finding relative gains of 10.8% in EM@100 for reasoning, 9.6% for mathematics, and 9.5% in Pass@100 for code generation.
LGMar 5
POET-X: Memory-efficient LLM Training by Scaling Orthogonal TransformationZeju Qiu, Lixin Liu, Adrian Weller et al.
Efficient and stable training of large language models (LLMs) remains a core challenge in modern machine learning systems. To address this challenge, Reparameterized Orthogonal Equivalence Training (POET), a spectrum-preserving framework that optimizes each weight matrix through orthogonal equivalence transformation, has been proposed. Although POET provides strong training stability, its original implementation incurs high memory consumption and computational overhead due to intensive matrix multiplications. To overcome these limitations, we introduce POET-X, a scalable and memory-efficient variant that performs orthogonal equivalence transformations with significantly reduced computational cost. POET-X maintains the generalization and stability benefits of POET while achieving substantial improvements in throughput and memory efficiency. In our experiments, POET-X enables the pretraining of billion-parameter LLMs on a single Nvidia H100 GPU, and in contrast, standard optimizers such as AdamW run out of memory under the same settings.
LGNov 23, 2025
CHIPS: Efficient CLIP Adaptation via Curvature-aware Hybrid Influence-based Data SelectionXinlin Zhuang, Yichen Li, Xiwei Liu et al.
Adapting CLIP to vertical domains is typically approached by novel fine-tuning strategies or by continual pre-training (CPT) on large domain-specific datasets. Yet, data itself remains an underexplored factor in this process. We revisit this task from a data-centric perspective: Can effective data selection substitute for large-scale datasets in CPT? We introduce CHIPS (Curvature-aware Hybrid Influence in Projection Subspace), which assigns each image-text pair a utility score that integrates three complementary factors aligned with three goals: faithfulness via a curvature-aware, Newton-style alignment computed in CLIP's end-point subspace; scalability via an InfoNCE-aware curvature estimator with Johnson-Lindenstrauss (JL) sketching; and retention via a selection-aware relevance weight combined with learnability to balance target adaptation against general-domain preservation. We justify this design theoretically by proving a lower-bound guarantee on the proxy's correlation with full-parameter alignment and by characterizing the bias-variance trade-offs introduced by curvature mixing and JL sketching. We evaluate CHIPS empirically across various settings: 1) CHIPS attains state-of-the-art performance among selection baselines on 17 medical benchmarks, matches full-dataset CPT with 30% of the data, and outperforms half-dataset CPT using only 10%; 2) on 31 general-domain benchmarks, CHIPS yields the smallest performance drop under 10-30% data-retention budgets. Code, data, and checkpoints will be released.
LGOct 24, 2025
Model Merging with Functional Dual AnchorsKexuan Shi, Yandong Wen, Weiyang Liu
Model merging is an efficient post-training strategy for integrating knowledge from multiple finetuned checkpoints of a shared foundation model. Existing methods operate in the parameter space, combining task vectors to mitigate conflicts, but remain constrained by parameter inconsistencies. We propose Functional Dual Anchors (FDAs), a framework that instead models the input-representation space. FDAs are synthetic inputs whose induced gradients align with task vectors, capturing task-specific functional shifts relative to the pretrained model. This perspective bridges joint multi-task training and post-hoc merging, offering both robustness and flexibility. We further introduce a principled initialization scheme and show that FDAs are complementary to parameter-space model merging. Comprehensive experiments demonstrate the effectiveness of FDAs in model merging.
CVOct 10, 2025
Speculative Jacobi-Denoising Decoding for Accelerating Autoregressive Text-to-image GenerationYao Teng, Fuyun Wang, Xian Liu et al.
As a new paradigm of visual content generation, autoregressive text-to-image models suffer from slow inference due to their sequential token-by-token decoding process, often requiring thousands of model forward passes to generate a single image. To address this inefficiency, we propose Speculative Jacobi-Denoising Decoding (SJD2), a framework that incorporates the denoising process into Jacobi iterations to enable parallel token generation in autoregressive models. Our method introduces a next-clean-token prediction paradigm that enables the pre-trained autoregressive models to accept noise-perturbed token embeddings and predict the next clean tokens through low-cost fine-tuning. This denoising paradigm guides the model towards more stable Jacobi trajectories. During inference, our method initializes token sequences with Gaussian noise and performs iterative next-clean-token-prediction in the embedding space. We employ a probabilistic criterion to verify and accept multiple tokens in parallel, and refine the unaccepted tokens for the next iteration with the denoising trajectory. Experiments show that our method can accelerate generation by reducing model forward passes while maintaining the visual quality of generated images.
LGJun 11, 2025
Flipping Against All Odds: Reducing LLM Coin Flip Bias via Verbalized Rejection SamplingTim Z. Xiao, Johannes Zenn, Zhen Liu et al.
Large language models (LLMs) can often accurately describe probability distributions using natural language, yet they still struggle to generate faithful samples from them. This mismatch limits their use in tasks requiring reliable stochasticity, such as Monte Carlo methods, agent-based simulations, and randomized decision-making. We investigate this gap between knowledge and sampling in the context of Bernoulli distributions. We introduce Verbalized Rejection Sampling (VRS), a natural-language adaptation of classical rejection sampling that prompts the LLM to reason about and accept or reject proposed samples. Despite relying on the same Bernoulli mechanism internally, VRS substantially reduces sampling bias across models. We provide theoretical analysis showing that, under mild assumptions, VRS improves over direct sampling, with gains attributable to both the algorithm and prompt design. More broadly, our results show how classical probabilistic tools can be verbalized and embedded into LLM workflows to improve reliability, without requiring access to model internals or heavy prompt engineering.
LGJun 6, 2024
Verbalized Machine Learning: Revisiting Machine Learning with Language ModelsTim Z. Xiao, Robert Bamler, Bernhard Schölkopf et al.
Motivated by the progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning (ML) models that are typically optimized over a continuous parameter space, VML constrains the parameter space to be human-interpretable natural language. Such a constraint leads to a new perspective of function approximation, where an LLM with a text prompt can be viewed as a function parameterized by the text prompt. Guided by this perspective, we revisit classical ML problems, such as regression and classification, and find that these problems can be solved by an LLM-parameterized learner and optimizer. The major advantages of VML include (1) easy encoding of inductive bias: prior knowledge about the problem and hypothesis class can be encoded in natural language and fed into the LLM-parameterized learner; (2) automatic model class selection: the optimizer can automatically select a model class based on data and verbalized prior knowledge, and it can update the model class during training; and (3) interpretable learner updates: the LLM-parameterized optimizer can provide explanations for why an update is performed. We empirically verify the effectiveness of VML, and hope that VML can serve as a stepping stone to stronger interpretability.