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Jan 5

Universal Approximation Theorem for a Single-Layer Transformer

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

  • 1 authors
·
Jul 11, 2025

Faces of highest weight modules and the universal Weyl polyhedron

Let V be a highest weight module over a Kac-Moody algebra g, and let conv V denote the convex hull of its weights. We determine the combinatorial isomorphism type of conv V, i.e. we completely classify the faces and their inclusions. In the special case where g is semisimple, this brings closure to a question studied by Cellini-Marietti [IMRN 2015] for the adjoint representation, and by Khare [J. Algebra 2016; Trans. Amer. Math. Soc. 2017] for most modules. The determination of faces of finite-dimensional modules up to the Weyl group action and some of their inclusions also appears in previous work of Satake [Ann. of Math. 1960], Borel-Tits [IHES Publ. Math. 1965], Vinberg [Izv. Akad. Nauk 1990], and Casselman [Austral. Math. Soc. 1997]. For any subset of the simple roots, we introduce a remarkable convex cone which we call the universal Weyl polyhedron, which controls the convex hulls of all modules parabolically induced from the corresponding Levi factor. Namely, the combinatorial isomorphism type of the cone stores the classification of faces for all such highest weight modules, as well as how faces degenerate as the highest weight gets increasingly singular. To our knowledge, this cone is new in finite and infinite type. We further answer a question of Michel Brion, by showing that the localization of conv V along a face is always the convex hull of the weights of a parabolically induced module. Finally, as we determine the inclusion relations between faces representation-theoretically from the set of weights, without recourse to convexity, we answer a similar question for highest weight modules over symmetrizable quantum groups.

  • 2 authors
·
Oct 31, 2016

Exact Learning of Permutations for Nonzero Binary Inputs with Logarithmic Training Size and Quadratic Ensemble Complexity

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

  • 3 authors
·
Feb 23, 2025

UniversalNER: Targeted Distillation from Large Language Models for Open Named Entity Recognition

Large language models (LLMs) have demonstrated remarkable generalizability, such as understanding arbitrary entities and relations. Instruction tuning has proven effective for distilling LLMs into more cost-efficient models such as Alpaca and Vicuna. Yet such student models still trail the original LLMs by large margins in downstream applications. In this paper, we explore targeted distillation with mission-focused instruction tuning to train student models that can excel in a broad application class such as open information extraction. Using named entity recognition (NER) for case study, we show how ChatGPT can be distilled into much smaller UniversalNER models for open NER. For evaluation, we assemble the largest NER benchmark to date, comprising 43 datasets across 9 diverse domains such as biomedicine, programming, social media, law, finance. Without using any direct supervision, UniversalNER attains remarkable NER accuracy across tens of thousands of entity types, outperforming general instruction-tuned models such as Alpaca and Vicuna by over 30 absolute F1 points in average. With a tiny fraction of parameters, UniversalNER not only acquires ChatGPT's capability in recognizing arbitrary entity types, but also outperforms its NER accuracy by 7-9 absolute F1 points in average. Remarkably, UniversalNER even outperforms by a large margin state-of-the-art multi-task instruction-tuned systems such as InstructUIE, which uses supervised NER examples. We also conduct thorough ablation studies to assess the impact of various components in our distillation approach. We will release the distillation recipe, data, and UniversalNER models to facilitate future research on targeted distillation.

  • 5 authors
·
Aug 6, 2023 2

Unified Model for Image, Video, Audio and Language Tasks

Large Language Models (LLMs) have made the ambitious quest for generalist agents significantly far from being a fantasy. A key hurdle for building such general models is the diversity and heterogeneity of tasks and modalities. A promising solution is unification, allowing the support of a myriad of tasks and modalities within one unified framework. While few large models (e.g., Flamingo (Alayrac et al., 2022), trained on massive datasets, can support more than two modalities, current small to mid-scale unified models are still limited to 2 modalities, usually image-text or video-text. The question that we ask is: is it possible to build efficiently a unified model that can support all modalities? To answer this, we propose UnIVAL, a step further towards this ambitious goal. Without relying on fancy datasets sizes or models with billions of parameters, the ~ 0.25B parameter UnIVAL model goes beyond two modalities and unifies text, images, video, and audio into a single model. Our model is efficiently pretrained on many tasks, based on task balancing and multimodal curriculum learning. UnIVAL shows competitive performance to existing state-of-the-art approaches, across image and video-text tasks. The feature representations learned from image and video-text modalities, allows the model to achieve competitive performance when finetuned on audio-text tasks, despite not being pretrained on audio. Thanks to the unified model, we propose a novel study on multimodal model merging via weight interpolation of models trained on different multimodal tasks, showing their benefits in particular for out-of-distribution generalization. Finally, we motivate unification by showing the synergy between tasks. The model weights and code are released here: https://github.com/mshukor/UnIVAL.

  • 4 authors
·
Jul 30, 2023 1

UniCoder: Scaling Code Large Language Model via Universal Code

Intermediate reasoning or acting steps have successfully improved large language models (LLMs) for handling various downstream natural language processing (NLP) tasks. When applying LLMs for code generation, recent works mainly focus on directing the models to articulate intermediate natural-language reasoning steps, as in chain-of-thought (CoT) prompting, and then output code with the natural language or other structured intermediate steps. However, such output is not suitable for code translation or generation tasks since the standard CoT has different logical structures and forms of expression with the code. In this work, we introduce the universal code (UniCode) as the intermediate representation. It is a description of algorithm steps using a mix of conventions of programming languages, such as assignment operator, conditional operator, and loop. Hence, we collect an instruction dataset UniCoder-Instruct to train our model UniCoder on multi-task learning objectives. UniCoder-Instruct comprises natural-language questions, code solutions, and the corresponding universal code. The alignment between the intermediate universal code representation and the final code solution significantly improves the quality of the generated code. The experimental results demonstrate that UniCoder with the universal code significantly outperforms the previous prompting methods by a large margin, showcasing the effectiveness of the structural clues in pseudo-code.

  • 9 authors
·
Jun 24, 2024

U-MARVEL: Unveiling Key Factors for Universal Multimodal Retrieval via Embedding Learning with MLLMs

Universal multimodal retrieval (UMR), which aims to address complex retrieval tasks where both queries and candidates span diverse modalities, has been significantly advanced by the emergence of MLLMs. While state-of-the-art MLLM-based methods in the literature predominantly adopt contrastive learning principles, they often differ in their specific training recipes. Despite their success, the mechanisms underlying their retrieval capabilities remain largely unexplored, potentially resulting in suboptimal performance and limited generalization ability. To address these issues, we present a comprehensive study aimed at uncovering the key factors that drive effective embedding learning for UMR using MLLMs. We begin by implementing a general MLLM-based embedding learning pipeline, and systematically analyze the primary contributors to high-performing universal retrieval systems. Based on this, we explore various aspects of the details in embedding generation and training strategies, including progressive transition, hard negative mining and re-ranker distillation. Notably, our findings reveal that often-overlooked factors can have a substantial impact on model performance. Building on these discoveries, we introduce a unified framework termed U-MARVEL (Universal MultimodAl RetrieVal via Embedding Learning), which outperforms state-of-the-art competitors on the M-BEIR benchmark by a large margin in supervised settings, and also exihibits strong zero-shot performance on several tasks such as composed image retrieval and text-to-video retrieval. These results underscore the generalization potential of our framework across various embedding-based retrieval tasks. Code is available at https://github.com/chaxjli/U-MARVEL

  • 4 authors
·
Jul 20, 2025

Universal Reasoner: A Single, Composable Plug-and-Play Reasoner for Frozen LLMs

Large Language Models (LLMs) have demonstrated remarkable general capabilities, but enhancing skills such as reasoning often demands substantial computational resources and may compromise their generalization. While Parameter-Efficient Fine-Tuning (PEFT) methods offer a more resource-conscious alternative, they typically requires retraining for each LLM backbone due to architectural dependencies. To address these challenges, here we propose Universal Reasoner (UniR) - a single, lightweight, composable, and plug-and-play reasoning module that can be used with any frozen LLM to endow it with specialized reasoning capabilities. Specifically, UniR decomposes the reward into a standalone reasoning module that is trained independently using predefined rewards, effectively translating trajectory-level signals into token-level guidance. Once trained, UniR can be combined with any frozen LLM at inference time by simply adding its output logits to those of the LLM backbone. This additive structure naturally enables modular composition: multiple UniR modules trained for different tasks can be jointly applied by summing their logits, enabling complex reasoning via composition. Experimental results on mathematical reasoning and machine translation tasks show that UniR significantly outperforms existing baseline fine-tuning methods using the Llama3.2 model. Furthermore, UniR demonstrates strong weak-to-strong generalization: reasoning modules trained on smaller models effectively guide much larger LLMs. This makes UniR a cost-efficient, adaptable, and robust solution for enhancing reasoning in LLMs without compromising their core capabilities. Code is open-sourced at https://github.com/hangeol/UniR

  • 5 authors
·
May 25, 2025 2

Towards Universal Video Retrieval: Generalizing Video Embedding via Synthesized Multimodal Pyramid Curriculum

The prevailing video retrieval paradigm is structurally misaligned, as narrow benchmarks incentivize correspondingly limited data and single-task training. Therefore, universal capability is suppressed due to the absence of a diagnostic evaluation that defines and demands multi-dimensional generalization. To break this cycle, we introduce a framework built on the co-design of evaluation, data, and modeling. First, we establish the Universal Video Retrieval Benchmark (UVRB), a suite of 16 datasets designed not only to measure performance but also to diagnose critical capability gaps across tasks and domains. Second, guided by UVRB's diagnostics, we introduce a scalable synthesis workflow that generates 1.55 million high-quality pairs to populate the semantic space required for universality. Finally, we devise the Modality Pyramid, a curriculum that trains our General Video Embedder (GVE) by explicitly leveraging the latent interconnections within our diverse data. Extensive experiments show GVE achieves state-of-the-art zero-shot generalization on UVRB. In particular, our analysis reveals that popular benchmarks are poor predictors of general ability and that partially relevant retrieval is a dominant but overlooked scenario. Overall, our co-designed framework provides a practical path to escape the limited scope and advance toward truly universal video retrieval.

Alibaba-NLP Alibaba-NLP
·
Oct 31, 2025 1

DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operators

While it is widely known that neural networks are universal approximators of continuous functions, a less known and perhaps more powerful result is that a neural network with a single hidden layer can approximate accurately any nonlinear continuous operator. This universal approximation theorem is suggestive of the potential application of neural networks in learning nonlinear operators from data. However, the theorem guarantees only a small approximation error for a sufficient large network, and does not consider the important optimization and generalization errors. To realize this theorem in practice, we propose deep operator networks (DeepONets) to learn operators accurately and efficiently from a relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function at a fixed number of sensors x_i, i=1,dots,m (branch net), and another for encoding the locations for the output functions (trunk net). We perform systematic simulations for identifying two types of operators, i.e., dynamic systems and partial differential equations, and demonstrate that DeepONet significantly reduces the generalization error compared to the fully-connected networks. We also derive theoretically the dependence of the approximation error in terms of the number of sensors (where the input function is defined) as well as the input function type, and we verify the theorem with computational results. More importantly, we observe high-order error convergence in our computational tests, namely polynomial rates (from half order to fourth order) and even exponential convergence with respect to the training dataset size.

  • 3 authors
·
Oct 7, 2019

Label Drop for Multi-Aspect Relation Modeling in Universal Information Extraction

Universal Information Extraction (UIE) has garnered significant attention due to its ability to address model explosion problems effectively. Extractive UIE can achieve strong performance using a relatively small model, making it widely adopted. Extractive UIEs generally rely on task instructions for different tasks, including single-target instructions and multiple-target instructions. Single-target instruction UIE enables the extraction of only one type of relation at a time, limiting its ability to model correlations between relations and thus restricting its capability to extract complex relations. While multiple-target instruction UIE allows for the extraction of multiple relations simultaneously, the inclusion of irrelevant relations introduces decision complexity and impacts extraction accuracy. Therefore, for multi-relation extraction, we propose LDNet, which incorporates multi-aspect relation modeling and a label drop mechanism. By assigning different relations to different levels for understanding and decision-making, we reduce decision confusion. Additionally, the label drop mechanism effectively mitigates the impact of irrelevant relations. Experiments show that LDNet outperforms or achieves competitive performance with state-of-the-art systems on 9 tasks, 33 datasets, in both single-modal and multi-modal, few-shot and zero-shot settings.https://github.com/Lu-Yang666/LDNet

  • 6 authors
·
Feb 18, 2025

Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens

Recent advancements in large language models and their multi-modal extensions have demonstrated the effectiveness of unifying generation and understanding through autoregressive next-token prediction. However, despite the critical role of 3D structural generation and understanding ({3D GU}) in AI for science, these tasks have largely evolved independently, with autoregressive methods remaining underexplored. To bridge this gap, we introduce Uni-3DAR, a unified framework that seamlessly integrates {3D GU} tasks via autoregressive prediction. At its core, Uni-3DAR employs a novel hierarchical tokenization that compresses 3D space using an octree, leveraging the inherent sparsity of 3D structures. It then applies an additional tokenization for fine-grained structural details, capturing key attributes such as atom types and precise spatial coordinates in microscopic 3D structures. We further propose two optimizations to enhance efficiency and effectiveness. The first is a two-level subtree compression strategy, which reduces the octree token sequence by up to 8x. The second is a masked next-token prediction mechanism tailored for dynamically varying token positions, significantly boosting model performance. By combining these strategies, Uni-3DAR successfully unifies diverse {3D GU} tasks within a single autoregressive framework. Extensive experiments across multiple microscopic {3D GU} tasks, including molecules, proteins, polymers, and crystals, validate its effectiveness and versatility. Notably, Uni-3DAR surpasses previous state-of-the-art diffusion models by a substantial margin, achieving up to 256\% relative improvement while delivering inference speeds up to 21.8x faster. The code is publicly available at https://github.com/dptech-corp/Uni-3DAR.

  • 8 authors
·
Mar 20, 2025 2

UniGeo: Unifying Geometry Logical Reasoning via Reformulating Mathematical Expression

Geometry problem solving is a well-recognized testbed for evaluating the high-level multi-modal reasoning capability of deep models. In most existing works, two main geometry problems: calculation and proving, are usually treated as two specific tasks, hindering a deep model to unify its reasoning capability on multiple math tasks. However, in essence, these two tasks have similar problem representations and overlapped math knowledge which can improve the understanding and reasoning ability of a deep model on both two tasks. Therefore, we construct a large-scale Unified Geometry problem benchmark, UniGeo, which contains 4,998 calculation problems and 9,543 proving problems. Each proving problem is annotated with a multi-step proof with reasons and mathematical expressions. The proof can be easily reformulated as a proving sequence that shares the same formats with the annotated program sequence for calculation problems. Naturally, we also present a unified multi-task Geometric Transformer framework, Geoformer, to tackle calculation and proving problems simultaneously in the form of sequence generation, which finally shows the reasoning ability can be improved on both two tasks by unifying formulation. Furthermore, we propose a Mathematical Expression Pretraining (MEP) method that aims to predict the mathematical expressions in the problem solution, thus improving the Geoformer model. Experiments on the UniGeo demonstrate that our proposed Geoformer obtains state-of-the-art performance by outperforming task-specific model NGS with over 5.6% and 3.2% accuracies on calculation and proving problems, respectively.

  • 7 authors
·
Dec 5, 2022

Lie Group Decompositions for Equivariant Neural Networks

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

  • 2 authors
·
Oct 17, 2023

UniCTokens: Boosting Personalized Understanding and Generation via Unified Concept Tokens

Personalized models have demonstrated remarkable success in understanding and generating concepts provided by users. However, existing methods use separate concept tokens for understanding and generation, treating these tasks in isolation. This may result in limitations for generating images with complex prompts. For example, given the concept langle borangle, generating "langle borangle wearing its hat" without additional textual descriptions of its hat. We call this kind of generation \textbf{personalized attribute-reasoning generation}. To address the limitation, we present UniCTokens, a novel framework that effectively integrates personalized information into a unified vision language model (VLM) for understanding and generation. UniCTokens trains a set of unified concept tokens to leverage complementary semantics, boosting two personalized tasks. Moreover, we propose a progressive training strategy with three stages: understanding warm-up, bootstrapping generation from understanding, and deepening understanding from generation to enhance mutual benefits between both tasks. To quantitatively evaluate the unified VLM personalization, we present UnifyBench, the first benchmark for assessing concept understanding, concept generation, and attribute-reasoning generation. Experimental results on UnifyBench indicate that UniCTokens shows competitive performance compared to leading methods in concept understanding, concept generation, and achieving state-of-the-art results in personalized attribute-reasoning generation. Our research demonstrates that enhanced understanding improves generation, and the generation process can yield valuable insights into understanding. Our code and dataset will be released at: https://github.com/arctanxarc/UniCTokens{https://github.com/arctanxarc/UniCTokens}.

  • 13 authors
·
May 20, 2025

Universal Actions for Enhanced Embodied Foundation Models

Training on diverse, internet-scale data is a key factor in the success of recent large foundation models. Yet, using the same recipe for building embodied agents has faced noticeable difficulties. Despite the availability of many crowd-sourced embodied datasets, their action spaces often exhibit significant heterogeneity due to distinct physical embodiment and control interfaces for different robots, causing substantial challenges in developing embodied foundation models using cross-domain data. In this paper, we introduce UniAct, a new embodied foundation modeling framework operating in a tokenized Universal Action Space. Our learned universal actions capture the generic atomic behaviors across diverse robots by exploiting their shared structural features, and enable enhanced cross-domain data utilization and cross-embodiment generalizations by eliminating the notorious heterogeneity. The universal actions can be efficiently translated back to heterogeneous actionable commands by simply adding embodiment-specific details, from which fast adaptation to new robots becomes simple and straightforward. Our 0.5B instantiation of UniAct outperforms 14X larger SOTA embodied foundation models in extensive evaluations on various real-world and simulation robots, showcasing exceptional cross-embodiment control and adaptation capability, highlighting the crucial benefit of adopting universal actions. Project page: https://github.com/2toinf/UniAct

  • 10 authors
·
Jan 17, 2025

InfiMM-WebMath-40B: Advancing Multimodal Pre-Training for Enhanced Mathematical Reasoning

Pre-training on large-scale, high-quality datasets is crucial for enhancing the reasoning capabilities of Large Language Models (LLMs), especially in specialized domains such as mathematics. Despite the recognized importance, the Multimodal LLMs (MLLMs) field currently lacks a comprehensive open-source pre-training dataset specifically designed for mathematical reasoning. To address this gap, we introduce InfiMM-WebMath-40B, a high-quality dataset of interleaved image-text documents. It comprises 24 million web pages, 85 million associated image URLs, and 40 billion text tokens, all meticulously extracted and filtered from CommonCrawl. We provide a detailed overview of our data collection and processing pipeline. To demonstrate the robustness of InfiMM-WebMath-40B, we conducted evaluations in both text-only and multimodal settings. Our evaluations on text-only benchmarks show that, despite utilizing only 40 billion tokens, our dataset significantly enhances the performance of our 1.3B model, delivering results comparable to DeepSeekMath-1.3B, which uses 120 billion tokens for the same model size. Nevertheless, with the introduction of our multi-modal math pre-training dataset, our models set a new state-of-the-art among open-source models on multi-modal math benchmarks such as MathVerse and We-Math. We release our data at https://huggingface.co/datasets/Infi-MM/InfiMM-WebMath-40B.

  • 11 authors
·
Sep 19, 2024 4

Evaluating and Improving Tool-Augmented Computation-Intensive Math Reasoning

Chain-of-thought prompting~(CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models~(LLMs) to perform step-by-step reasoning on complex math-related tasks. However, most existing math reasoning datasets may be not able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they may only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps. To address the issue, we construct CARP, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps. In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to wrong answers. Based on this finding, we propose a new approach that can deliberate the reasoning steps with tool interfaces, namely DELI. In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from the perspectives of tool manipulation and natural language reasoning, until obtaining converged solutions or reaching the maximum turn. Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods. Our data and code are available in https://github.com/RUCAIBox/CARP.

  • 7 authors
·
Jun 4, 2023

One-connection rule for structural equation models

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

  • 4 authors
·
Oct 1, 2022

Specializing Smaller Language Models towards Multi-Step Reasoning

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

  • 5 authors
·
Jan 30, 2023

Qwen2.5-Math Technical Report: Toward Mathematical Expert Model via Self-Improvement

In this report, we present a series of math-specific large language models: Qwen2.5-Math and Qwen2.5-Math-Instruct-1.5B/7B/72B. The core innovation of the Qwen2.5 series lies in integrating the philosophy of self-improvement throughout the entire pipeline, from pre-training and post-training to inference: (1) During the pre-training phase, Qwen2-Math-Instruct is utilized to generate large-scale, high-quality mathematical data. (2) In the post-training phase, we develop a reward model (RM) by conducting massive sampling from Qwen2-Math-Instruct. This RM is then applied to the iterative evolution of data in supervised fine-tuning (SFT). With a stronger SFT model, it's possible to iteratively train and update the RM, which in turn guides the next round of SFT data iteration. On the final SFT model, we employ the ultimate RM for reinforcement learning, resulting in the Qwen2.5-Math-Instruct. (3) Furthermore, during the inference stage, the RM is used to guide sampling, optimizing the model's performance. Qwen2.5-Math-Instruct supports both Chinese and English, and possess advanced mathematical reasoning capabilities, including Chain-of-Thought (CoT) and Tool-Integrated Reasoning (TIR). We evaluate our models on 10 mathematics datasets in both English and Chinese, such as GSM8K, MATH, GaoKao, AMC23, and AIME24, covering a range of difficulties from grade school level to math competition problems.

  • 16 authors
·
Sep 18, 2024

Learning Interactive Real-World Simulators

Generative models trained on internet data have revolutionized how text, image, and video content can be created. Perhaps the next milestone for generative models is to simulate realistic experience in response to actions taken by humans, robots, and other interactive agents. Applications of a real-world simulator range from controllable content creation in games and movies, to training embodied agents purely in simulation that can be directly deployed in the real world. We explore the possibility of learning a universal simulator (UniSim) of real-world interaction through generative modeling. We first make the important observation that natural datasets available for learning a real-world simulator are often rich along different axes (e.g., abundant objects in image data, densely sampled actions in robotics data, and diverse movements in navigation data). With careful orchestration of diverse datasets, each providing a different aspect of the overall experience, UniSim can emulate how humans and agents interact with the world by simulating the visual outcome of both high-level instructions such as "open the drawer" and low-level controls such as "move by x, y" from otherwise static scenes and objects. There are numerous use cases for such a real-world simulator. As an example, we use UniSim to train both high-level vision-language planners and low-level reinforcement learning policies, each of which exhibit zero-shot real-world transfer after training purely in a learned real-world simulator. We also show that other types of intelligence such as video captioning models can benefit from training with simulated experience in UniSim, opening up even wider applications. Video demos can be found at https://universal-simulator.github.io.

  • 6 authors
·
Oct 9, 2023

URSA: Understanding and Verifying Chain-of-thought Reasoning in Multimodal Mathematics

Chain-of-thought (CoT) reasoning has been widely applied in the mathematical reasoning of Large Language Models (LLMs). Recently, the introduction of derivative process supervision on CoT trajectories has sparked discussions on enhancing scaling capabilities during test time, thereby boosting the potential of these models. However, in multimodal mathematical reasoning, the scarcity of high-quality CoT training data has hindered existing models from achieving high-precision CoT reasoning and has limited the realization of reasoning potential during test time. In this work, we propose a three-module synthesis strategy that integrates CoT distillation, trajectory-format rewriting, and format unification. It results in a high-quality CoT reasoning instruction fine-tuning dataset in multimodal mathematics, MMathCoT-1M. We comprehensively validate the state-of-the-art (SOTA) performance of the trained URSA-7B model on multiple multimodal mathematical benchmarks. For test-time scaling, we introduce a data synthesis strategy that automatically generates process annotation datasets, known as DualMath-1.1M, focusing on both interpretation and logic. By further training URSA-7B on DualMath-1.1M, we transition from CoT reasoning capabilities to robust supervision abilities. The trained URSA-RM-7B acts as a verifier, effectively enhancing the performance of URSA-7B at test time. URSA-RM-7B also demonstrates excellent out-of-distribution (OOD) verifying capabilities, showcasing its generalization. Model weights, training data and code will be open-sourced.

  • 8 authors
·
Jan 8, 2025 3

Unleashing Reasoning Capability of LLMs via Scalable Question Synthesis from Scratch

The availability of high-quality data is one of the most important factors in improving the reasoning capability of LLMs. Existing works have demonstrated the effectiveness of creating more instruction data from seed questions or knowledge bases. Recent research indicates that continually scaling up data synthesis from strong models (e.g., GPT-4) can further elicit reasoning performance. Though promising, the open-sourced community still lacks high-quality data at scale and scalable data synthesis methods with affordable costs. To address this, we introduce ScaleQuest, a scalable and novel data synthesis method that utilizes "small-size" (e.g., 7B) open-source models to generate questions from scratch without the need for seed data with complex augmentation constraints. With the efficient ScaleQuest, we automatically constructed a mathematical reasoning dataset consisting of 1 million problem-solution pairs, which are more effective than existing open-sourced datasets. It can universally increase the performance of mainstream open-source models (i.e., Mistral, Llama3, DeepSeekMath, and Qwen2-Math) by achieving 29.2% to 46.4% gains on MATH. Notably, simply fine-tuning the Qwen2-Math-7B-Base model with our dataset can even surpass Qwen2-Math-7B-Instruct, a strong and well-aligned model on closed-source data, and proprietary models such as GPT-4-Turbo and Claude-3.5 Sonnet.

  • 6 authors
·
Oct 24, 2024 3

Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations

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

  • 9 authors
·
Jul 1, 2025

GiT: Towards Generalist Vision Transformer through Universal Language Interface

This paper proposes a simple, yet effective framework, called GiT, simultaneously applicable for various vision tasks only with a vanilla ViT. Motivated by the universality of the Multi-layer Transformer architecture (e.g, GPT) widely used in large language models (LLMs), we seek to broaden its scope to serve as a powerful vision foundation model (VFM). However, unlike language modeling, visual tasks typically require specific modules, such as bounding box heads for detection and pixel decoders for segmentation, greatly hindering the application of powerful multi-layer transformers in the vision domain. To solve this, we design a universal language interface that empowers the successful auto-regressive decoding to adeptly unify various visual tasks, from image-level understanding (e.g., captioning), over sparse perception (e.g., detection), to dense prediction (e.g., segmentation). Based on the above designs, the entire model is composed solely of a ViT, without any specific additions, offering a remarkable architectural simplification. GiT is a multi-task visual model, jointly trained across five representative benchmarks without task-specific fine-tuning. Interestingly, our GiT builds a new benchmark in generalist performance, and fosters mutual enhancement across tasks, leading to significant improvements compared to isolated training. This reflects a similar impact observed in LLMs. Further enriching training with 27 datasets, GiT achieves strong zero-shot results over various tasks. Due to its simple design, this paradigm holds promise for narrowing the architectural gap between vision and language. Code and models will be available at https://github.com/Haiyang-W/GiT.

  • 8 authors
·
Mar 14, 2024 11

Universal Transformers

Recurrent neural networks (RNNs) sequentially process data by updating their state with each new data point, and have long been the de facto choice for sequence modeling tasks. However, their inherently sequential computation makes them slow to train. Feed-forward and convolutional architectures have recently been shown to achieve superior results on some sequence modeling tasks such as machine translation, with the added advantage that they concurrently process all inputs in the sequence, leading to easy parallelization and faster training times. Despite these successes, however, popular feed-forward sequence models like the Transformer fail to generalize in many simple tasks that recurrent models handle with ease, e.g. copying strings or even simple logical inference when the string or formula lengths exceed those observed at training time. We propose the Universal Transformer (UT), a parallel-in-time self-attentive recurrent sequence model which can be cast as a generalization of the Transformer model and which addresses these issues. UTs combine the parallelizability and global receptive field of feed-forward sequence models like the Transformer with the recurrent inductive bias of RNNs. We also add a dynamic per-position halting mechanism and find that it improves accuracy on several tasks. In contrast to the standard Transformer, under certain assumptions, UTs can be shown to be Turing-complete. Our experiments show that UTs outperform standard Transformers on a wide range of algorithmic and language understanding tasks, including the challenging LAMBADA language modeling task where UTs achieve a new state of the art, and machine translation where UTs achieve a 0.9 BLEU improvement over Transformers on the WMT14 En-De dataset.

  • 5 authors
·
Jul 10, 2018

Equivariant Polynomials for Graph Neural Networks

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

  • 5 authors
·
Feb 22, 2023

UniFlow: A Unified Pixel Flow Tokenizer for Visual Understanding and Generation

Tokenizer is a crucial component for both visual understanding and generation. To advance toward the ultimate goal of universal modeling, recent research has focused on developing a unified tokenizer. However, existing tokenizers face a significant performance trade-off between understanding and generation, stemming from the inherent conflict between high-level semantic abstraction and low-level pixel reconstruction. To tackle this challenge, we propose a generic and unified tokenizer, namely UniFlow, by flexibly adapting any visual encoder with a concise reconstruction decoder. Specifically, we introduce layer-wise adaptive self-distillation applied to the well-pretrained visual encoders, which enables UniFlow to simultaneously inherit the strong semantic features for visual understanding and flexibly adapt to model fine-grained details for visual generation. Moreover, we propose a lightweight patch-wise pixel flow decoder, which efficiently achieves high-fidelity pixel reconstruction by modeling a conditional flow from the noisy state back to the patch-wise pixel domain. By leveraging the semantic features as visual conditions for the decoder, we effectively alleviate the training conflicts between understanding and generation. Furthermore, the patch-wise learning strategy simplifies the data distribution, thereby improving training efficiency. Extensive experiments across 13 challenging benchmarks spanning 7 widely studied visual understanding and generation tasks demonstrate that UniFlow achieves a win-win outcome. For instance, our 7B UniFlow-XL not only surpasses the 14B TokenFlow-XL by 7.75% on average understanding benchmarks, but also achieves competitive results in both visual reconstruction and generation, surpassing UniTok by 0.15 in rFID and 0.09 in gFID (without guidance), respectively.

  • 11 authors
·
Oct 12, 2025

UNITER: UNiversal Image-TExt Representation Learning

Joint image-text embedding is the bedrock for most Vision-and-Language (V+L) tasks, where multimodality inputs are simultaneously processed for joint visual and textual understanding. In this paper, we introduce UNITER, a UNiversal Image-TExt Representation, learned through large-scale pre-training over four image-text datasets (COCO, Visual Genome, Conceptual Captions, and SBU Captions), which can power heterogeneous downstream V+L tasks with joint multimodal embeddings. We design four pre-training tasks: Masked Language Modeling (MLM), Masked Region Modeling (MRM, with three variants), Image-Text Matching (ITM), and Word-Region Alignment (WRA). Different from previous work that applies joint random masking to both modalities, we use conditional masking on pre-training tasks (i.e., masked language/region modeling is conditioned on full observation of image/text). In addition to ITM for global image-text alignment, we also propose WRA via the use of Optimal Transport (OT) to explicitly encourage fine-grained alignment between words and image regions during pre-training. Comprehensive analysis shows that both conditional masking and OT-based WRA contribute to better pre-training. We also conduct a thorough ablation study to find an optimal combination of pre-training tasks. Extensive experiments show that UNITER achieves new state of the art across six V+L tasks (over nine datasets), including Visual Question Answering, Image-Text Retrieval, Referring Expression Comprehension, Visual Commonsense Reasoning, Visual Entailment, and NLVR^2. Code is available at https://github.com/ChenRocks/UNITER.

  • 8 authors
·
Sep 25, 2019

Categorical semiotics: Foundations for Knowledge Integration

The integration of knowledge extracted from diverse models, whether described by domain experts or generated by machine learning algorithms, has historically been challenged by the absence of a suitable framework for specifying and integrating structures, learning processes, data transformations, and data models or rules. In this work, we extend algebraic specification methods to address these challenges within such a framework. In our work, we tackle the challenging task of developing a comprehensive framework for defining and analyzing deep learning architectures. We believe that previous efforts have fallen short by failing to establish a clear connection between the constraints a model must adhere to and its actual implementation. Our methodology employs graphical structures that resemble Ehresmann's sketches, interpreted within a universe of fuzzy sets. This approach offers a unified theory that elegantly encompasses both deterministic and non-deterministic neural network designs. Furthermore, we highlight how this theory naturally incorporates fundamental concepts from computer science and automata theory. Our extended algebraic specification framework, grounded in graphical structures akin to Ehresmann's sketches, offers a promising solution for integrating knowledge across disparate models and domains. By bridging the gap between domain-specific expertise and machine-generated insights, we pave the way for more comprehensive, collaborative, and effective approaches to knowledge integration and modeling.

  • 1 authors
·
Apr 1, 2024

From Generator to Embedder: Harnessing Innate Abilities of Multimodal LLMs via Building Zero-Shot Discriminative Embedding Model

Multimodal Large Language Models (MLLMs) have emerged as a promising solution for universal embedding tasks, yet adapting their generative nature for discriminative representation learning remains a significant challenge. The dominant paradigm of large-scale contrastive pre-training suffers from critical inefficiencies, including prohibitive computational costs and a failure to leverage the intrinsic, instruction-following capabilities of MLLMs. To overcome these limitations, we propose an efficient framework for universal multimodal embeddings, which bridges this gap by centering on two synergistic components. First, our hierarchical embedding prompt template employs a two-level instruction architecture that forces the model to produce discriminative representations. Building on this strong foundation, our second component, self-aware hard negative sampling, redefines the fine-tuning process by leveraging the model's own understanding to efficiently mine challenging negatives while actively filtering out potential false negatives. Our comprehensive experiments show that our hierarchical prompt achieves zero-shot performance competitive with contrastively trained baselines and enhances the fine-tuning process by lifting a simple in-batch negative baseline by 4.8 points on the MMEB benchmark. We further boost the performance via our self-aware hard negative sampling, achieving the state-of-the-art performance without the contrative pre-training. Our work presents an effective and efficient pathway to adapt MLLMs for universal embedding tasks, significantly reducing training time.

  • 2 authors
·
Aug 1, 2025

UGMathBench: A Diverse and Dynamic Benchmark for Undergraduate-Level Mathematical Reasoning with Large Language Models

Large Language Models (LLMs) have made significant strides in mathematical reasoning, underscoring the need for a comprehensive and fair evaluation of their capabilities. However, existing benchmarks often fall short, either lacking extensive coverage of undergraduate-level mathematical problems or probably suffering from test-set contamination. To address these issues, we introduce UGMathBench, a diverse and dynamic benchmark specifically designed for evaluating undergraduate-level mathematical reasoning with LLMs. UGMathBench comprises 5,062 problems across 16 subjects and 111 topics, featuring 10 distinct answer types. Each problem includes three randomized versions, with additional versions planned for release as leading open-source LLMs become saturated in UGMathBench. Furthermore, we propose two key metrics: effective accuracy (EAcc), which measures the percentage of correctly solved problems across all three versions, and reasoning gap (Delta), which assesses reasoning robustness by calculating the difference between the average accuracy across all versions and EAcc. Our extensive evaluation of 23 leading LLMs reveals that the highest EAcc achieved is 56.3\% by OpenAI-o1-mini, with large Delta values observed across different models. This highlights the need for future research aimed at developing "large reasoning models" with high EAcc and Delta = 0. We anticipate that the release of UGMathBench, along with its detailed evaluation codes, will serve as a valuable resource to advance the development of LLMs in solving mathematical problems.

  • 6 authors
·
Jan 23, 2025

UniBiomed: A Universal Foundation Model for Grounded Biomedical Image Interpretation

Multi-modal interpretation of biomedical images opens up novel opportunities in biomedical image analysis. Conventional AI approaches typically rely on disjointed training, i.e., Large Language Models (LLMs) for clinical text generation and segmentation models for target extraction, which results in inflexible real-world deployment and a failure to leverage holistic biomedical information. To this end, we introduce UniBiomed, the first universal foundation model for grounded biomedical image interpretation. UniBiomed is based on a novel integration of Multi-modal Large Language Model (MLLM) and Segment Anything Model (SAM), which effectively unifies the generation of clinical texts and the segmentation of corresponding biomedical objects for grounded interpretation. In this way, UniBiomed is capable of tackling a wide range of biomedical tasks across ten diverse biomedical imaging modalities. To develop UniBiomed, we curate a large-scale dataset comprising over 27 million triplets of images, annotations, and text descriptions across ten imaging modalities. Extensive validation on 84 internal and external datasets demonstrated that UniBiomed achieves state-of-the-art performance in segmentation, disease recognition, region-aware diagnosis, visual question answering, and report generation. Moreover, unlike previous models that rely on clinical experts to pre-diagnose images and manually craft precise textual or visual prompts, UniBiomed can provide automated and end-to-end grounded interpretation for biomedical image analysis. This represents a novel paradigm shift in clinical workflows, which will significantly improve diagnostic efficiency. In summary, UniBiomed represents a novel breakthrough in biomedical AI, unlocking powerful grounded interpretation capabilities for more accurate and efficient biomedical image analysis.

  • 5 authors
·
Apr 30, 2025 4

A Neural Network Solves, Explains, and Generates University Math Problems by Program Synthesis and Few-Shot Learning at Human Level

We demonstrate that a neural network pre-trained on text and fine-tuned on code solves mathematics course problems, explains solutions, and generates new questions at a human level. We automatically synthesize programs using few-shot learning and OpenAI's Codex transformer and execute them to solve course problems at 81% automatic accuracy. We curate a new dataset of questions from MIT's largest mathematics courses (Single Variable and Multivariable Calculus, Differential Equations, Introduction to Probability and Statistics, Linear Algebra, and Mathematics for Computer Science) and Columbia University's Computational Linear Algebra. We solve questions from a MATH dataset (on Prealgebra, Algebra, Counting and Probability, Intermediate Algebra, Number Theory, and Precalculus), the latest benchmark of advanced mathematics problems designed to assess mathematical reasoning. We randomly sample questions and generate solutions with multiple modalities, including numbers, equations, and plots. The latest GPT-3 language model pre-trained on text automatically solves only 18.8% of these university questions using zero-shot learning and 30.8% using few-shot learning and the most recent chain of thought prompting. In contrast, program synthesis with few-shot learning using Codex fine-tuned on code generates programs that automatically solve 81% of these questions. Our approach improves the previous state-of-the-art automatic solution accuracy on the benchmark topics from 8.8% to 81.1%. We perform a survey to evaluate the quality and difficulty of generated questions. This work is the first to automatically solve university-level mathematics course questions at a human level and the first work to explain and generate university-level mathematics course questions at scale, a milestone for higher education.

  • 18 authors
·
Dec 31, 2021

MathVerse: Does Your Multi-modal LLM Truly See the Diagrams in Visual Math Problems?

The remarkable progress of Multi-modal Large Language Models (MLLMs) has garnered unparalleled attention, due to their superior performance in visual contexts. However, their capabilities in visual math problem-solving remain insufficiently evaluated and understood. We investigate current benchmarks to incorporate excessive visual content within textual questions, which potentially assist MLLMs in deducing answers without truly interpreting the input diagrams. To this end, we introduce MathVerse, an all-around visual math benchmark designed for an equitable and in-depth evaluation of MLLMs. We meticulously collect 2,612 high-quality, multi-subject math problems with diagrams from publicly available sources. Each problem is then transformed by human annotators into six distinct versions, each offering varying degrees of information content in multi-modality, contributing to 15K test samples in total. This approach allows MathVerse to comprehensively assess whether and how much MLLMs can truly understand the visual diagrams for mathematical reasoning. In addition, we propose a Chain-of-Thought (CoT) evaluation strategy for a fine-grained assessment of the output answers. Rather than naively judging True or False, we employ GPT-4(V) to adaptively extract crucial reasoning steps, and then score each step with detailed error analysis, which can reveal the intermediate CoT reasoning quality by MLLMs. We hope the MathVerse benchmark may provide unique insights to guide the future development of MLLMs. Project page: https://mathverse-cuhk.github.io

  • 11 authors
·
Mar 21, 2024 3