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Multimodal Models

Jonas Belouadi, Simone Ponzetto, Steffen Eger

Creating high-quality scientific figures can be time-consuming and challenging, even though sketching ideas on paper is relatively easy. Furthermore, recreating existing figures that are not stored in formats preserving semantic information is equally complex. To tackle this problem, we introduce DeTikZify, a novel multimodal language model that automatically synthesizes scientific figures as semantics-preserving TikZ graphics programs based on sketches and existing figures. To achieve this, we create three new datasets: DaTikZv2, the largest TikZ dataset to date, containing over 360k human-created TikZ graphics; SketchFig, a dataset that pairs hand-drawn sketches with their corresponding scientific figures; and MetaFig, a collection of diverse scientific figures and associated metadata. We train DeTikZify on MetaFig and DaTikZv2, along with synthetically generated sketches learned from SketchFig. We also introduce an MCTS-based inference algorithm that enables DeTikZify to iteratively refine its outputs without the need for additional training. Through both automatic and human evaluation, we demonstrate that DeTikZify outperforms commercial Claude 3 and GPT-4V in synthesizing TikZ programs, with the MCTS algorithm effectively boosting its performance. We make our code, models, and datasets publicly available.

Causality

Adam Li, Yushu Pan, Elias Bareinboim

Considering various data modalities, such as images, videos, and text, humans perform causal reasoning using high-level causal variables, as opposed to operating at the low, pixel level from which the data comes. In practice, most causal reasoning methods assume that the data is described as granular as the underlying causal generative factors, which is often violated in various AI tasks. This mismatch translates into a lack of guarantees in various tasks such as generative modeling, decision-making, fairness, and generalizability, to cite a few. In this paper, we acknowledge this issue and study the problem of causal disentangled representation learning from a combination of data gathered from various heterogeneous domains and assumptions in the form of a latent causal graph. To the best of our knowledge, the proposed work is the first to consider i) non-Markovian causal settings, where there may be unobserved confounding, ii) arbitrary distributions that arise from multiple domains, and iii) a relaxed version of disentanglement. Specifically, we introduce graphical criteria that allow for disentanglement under various conditions. Building on these results, we develop an algorithm that returns a causal disentanglement map, highlighting which latent variables can be disentangled given the combination of data and assumptions. The theory is corroborated by experiments.

Generative Models · New Approaches

Neel Guha, Mayee Chen, Trevor Chow, Ishan Khare, Christopher Ré

Large language models (LLMs) are increasingly used in applications where LLM inputs may span many different tasks. Recent work has found that the choice of LLM is consequential, and different LLMs may be good for different input samples. Prior approaches have thus explored how engineers might select an LLM to use for each sample (i.e. _routing_). While existing routing methods mostly require training auxiliary models on human-annotated data, our work explores whether it is possible to perform _unsupervised_ routing. We propose Smoothie, a weak supervision-inspired routing approach that requires no labeled data. Given a set of outputs from different LLMs, Smoothie constructs a latent variable graphical model over embedding representations of observable LLM outputs and unknown “true” outputs. Using this graphical model, we estimate sample-dependent quality scores for each LLM, and route each sample to the LLM with the highest corresponding score. We find that Smoothie's LLM quality-scores correlate with ground-truth model quality (correctly identifying the optimal model on 9/14 tasks), and that Smoothie outperforms baselines for routing by up to 10 points accuracy.

Computer Vision

Meng Wei, Qianyi Wu, Jianmin Zheng, Hamid Rezatofighi, Jianfei Cai

Rendering and reconstruction are long-standing topics in computer vision and graphics. Achieving both high rendering quality and accurate geometry is a challenge. Recent advancements in 3D Gaussian Splatting (3DGS) have enabled high-fidelity novel view synthesis at real-time speeds. However, the noisy and discrete nature of 3D Gaussian primitives hinders accurate surface estimation. Previous attempts to regularize 3D Gaussian normals often degrade rendering quality due to the fundamental disconnect between normal vectors and the rendering pipeline in 3DGS-based methods. Therefore, we introduce Normal-GS, a novel approach that integrates normal vectors into the 3DGS rendering pipeline. The core idea is to model the interaction between normals and incident lighting using the physically-based rendering equation. Our approach re-parameterizes surface colors as the product of normals and a designed Integrated Directional Illumination Vector (IDIV). To optimize memory usage and simplify optimization, we employ an anchor-based 3DGS to implicitly encode locally-shared IDIVs. Additionally, Normal-GS leverages optimized normals and Integrated Directional Encoding (IDE) to accurately model specular effects, enhancing both rendering quality and surface normal precision. Extensive experiments demonstrate that Normal-GS achieves near state-of-the-art visual quality while obtaining accurate surface normals and preserving real-time rendering performance.

Jingyang Yuan, Gongbo Sun, Zhiping Xiao, Hang Zhou, Xiao Luo, Junyu Luo, Yusheng Zhao, Wei Ju, Ming Zhang

This paper studies the problem of rigid dynamics modeling, which has a wide range of applications in robotics, graphics, and mechanical design. The problem is partly solved by graph neural network (GNN) simulators. However, these approaches cannot effectively handle the relationship between intrinsic continuity and instantaneous changes in rigid dynamics. Moreover, they usually neglect hierarchical structures across mesh nodes and objects in systems. In this paper, we propose a novel approach named Event-attend Graph ODE (EGODE) for effective rigid dynamics modeling. In particular, we describe the rigid system using both mesh node representations and object representations. To model continuous dynamics across hierarchical structures, we use a coupled graph ODE framework for the evolution of both types of representations over a long period. In addition, to capture instantaneous changes during the collision, we introduce an event module, which can effectively estimate the occurrence of the collision and update the states of both mesh node and object representations during evolution. Extensive experiments on a range of benchmark datasets validate the superiority of the proposed EGODE compared to various state-of-the-art baselines. The source code can be found at https://github.com/yuanjypku/EGODE.

Neuroscience, Cognitive Science

Eli Sennesh, Hao Wu, Tommaso Salvatori

Unexpected stimuli induce "error" or "surprise" signals in the brain. The theory of predictive coding promises to explain these observations in terms of Bayesian inference by suggesting that the cortex implements variational inference in a probabilistic graphical model. However, when applied to machine learning tasks, this family of algorithms has yet to perform on par with other variational approaches in high-dimensional, structured inference problems. To address this, we introduce a novel predictive coding algorithm for structured generative models, that we call divide-and-conquer predictive coding (DCPC); it differs from other formulations of predictive coding, as it respects the correlation structure of the generative model and provably performs maximum-likelihood updates of model parameters, all without sacrificing biological plausibility. Empirically, DCPC achieves better numerical performance than competing algorithms and provides accurate inference in a number of problems not previously addressed with predictive coding. We provide an open implementation of DCPC in Pyro on Github.

Datasets and Benchmarks

Qi Ma, Danda Pani Paudel, Ender Konukoglu, Luc V Gool

Neural implicit functions have demonstrated significant importance in various areas such as computer vision, graphics. Their advantages include the ability to represent complex shapes and scenes with high fidelity, smooth interpolation capabilities, and continuous representations. Despite these benefits, the development and analysis of implicit functions have been limited by the lack of comprehensive datasets and the substantial computational resources required for their implementation and evaluation. To address these challenges, we introduce "Implicit-Zoo": a large-scale dataset requiring thousands of GPU training days designed to facilitate research and development in this field. Our dataset includes diverse 2D and 3D scenes, such as CIFAR-10, ImageNet-1K, and Cityscapes for 2D image tasks, and the OmniObject3D dataset for 3D vision tasks. We ensure high quality through strict checks, refining or filtering out low-quality data. Using Implicit-Zoo, we showcase two immediate benefits as it enables to: (1) learn token locations for transformer models; (2) Directly regress 3D cameras poses of 2D images with respect to NeRF models. This in turn leads to an \emph{improved performance} in all three task of image classification, semantic segmentation, and 3D pose regression -- thereby unlocking new avenues for research.

Trustworthy Machine Learning

Yexiong Lin, Yu Yao, Tongliang Liu

In label-noise learning, the noise transition matrix reveals how an instance transitions from its clean label to its noisy label. Accurately estimating an instance's noise transition matrix is crucial for estimating its clean label. However, when only a noisy dataset is available, noise transition matrices can be estimated only for some "special" instances. To leverage these estimated transition matrices to help estimate the transition matrices of other instances, it is essential to explore relations between the matrices of these "special" instances and those of others. Existing studies typically build the relation by explicitly defining the similarity between the estimated noise transition matrices of "special" instances and those of other instances. However, these similarity-based assumptions are hard to validate and may not align with real-world data. If these assumptions fail, both noise transition matrices and clean labels cannot be accurately estimated. In this paper, we found that by learning the latent causal structure governing the generating process of noisy data, we can estimate noise transition matrices without the need for similarity-based assumptions. Unlike previous generative label-noise learning methods, we consider causal relations between latent causal variables and model them with a learnable graphical model. Utilizing only noisy data, our method can effectively learn the latent causal structure. Experimental results on various noisy datasets demonstrate that our method achieves state-of-the-art performance in estimating noise transition matrices, which leads to improved classification accuracy. The code is available at: https://github.com/tmllab/2024_NeurIPS_CSGN.

Human-computer interaction

Kevin Qinghong Lin, Linjie Li, Difei Gao, Qinchen WU, Mingyi Yan, Zhengyuan Yang, Lijuan Wang, Mike Zheng Shou

Graphical User Interface (GUI) automation holds significant promise for enhancing human productivity by assisting with computer tasks. Existing task formulations primarily focus on simple tasks that can be specified by a single, language-only instruction, such as “Insert a new slide.” In this work, we introduce VideoGUI, a novel multi-modal benchmark designed to evaluate GUI assistants on visual-centric GUI tasks. Sourced from high-quality web instructional videos, our benchmark focuses on tasks involving professional and novel software (e.g., Adobe Pho- toshop or Stable Diffusion WebUI) and complex activities (e.g., video editing). VideoGUI evaluates GUI assistants through a hierarchical process, allowing for identification of the specific levels at which they may fail: (i) high-level planning: reconstruct procedural subtasks from visual conditions without language descrip- tions; (ii) middle-level planning: generate sequences of precise action narrations based on visual state (i.e., screenshot) and goals; (iii) atomic action execution: perform specific actions such as accurately clicking designated elements. For each level, we design evaluation metrics across individual dimensions to provide clear signals, such as individual performance in clicking, dragging, typing, and scrolling for atomic action execution. Our evaluation on VideoGUI reveals that even the SoTA large multimodal model GPT4o performs poorly on visual-centric GUI tasks, especially for high-level planning. The data and code are available at https://github.com/showlab/videogui.

Optimization · Learning for Optimization

Qijian Zhang, Junhui Hou, Wenping Wang, Ying He

Surface parameterization plays an essential role in numerous computer graphics and geometry processing applications. Traditional parameterization approaches are designed for high-quality meshes laboriously created by specialized 3D modelers, thus unable to meet the processing demand for the current explosion of ordinary 3D data. Moreover, their working mechanisms are typically restricted to certain simple topologies, thus relying on cumbersome manual efforts (e.g., surface cutting, part segmentation) for pre-processing. In this paper, we introduce the Flatten Anything Model (FAM), an unsupervised neural architecture to achieve global free-boundary surface parameterization via learning point-wise mappings between 3D points on the target geometric surface and adaptively-deformed UV coordinates within the 2D parameter domain. To mimic the actual physical procedures, we ingeniously construct geometrically-interpretable sub-networks with specific functionalities of surface cutting, UV deforming, unwrapping, and wrapping, which are assembled into a bi-directional cycle mapping framework. Compared with previous methods, our FAM directly operates on discrete surface points without utilizing connectivity information, thus significantly reducing the strict requirements for mesh quality and even applicable to unstructured point cloud data. More importantly, our FAM is fully-automated without the need for pre-cutting and can deal with highly-complex topologies, since its learning process adaptively finds reasonable cutting seams and UV boundaries. Extensive experiments demonstrate the universality, superiority, and inspiring potential of our proposed neural surface parameterization paradigm. Our code is available at https://github.com/keeganhk/FlattenAnything.

Causality

Burak Varici, Karthikeyan Shanmugam, Prasanna Sattigeri, Ali Tajer

This paper studies the problem of designing an optimal sequence of interventions in a causal graphical model to minimize cumulative regret with respect to the best intervention in hindsight. This is, naturally, posed as a causal bandit problem. The focus is on causal bandits for linear structural equation models (SEMs) and soft interventions. It is assumed that the graph's structure is known and has $N$ nodes. Two linear mechanisms, one soft intervention and one observational, are assumed for each node, giving rise to $2^N$ possible interventions. The majority of the existing causal bandit algorithms assume that at least the interventional distributions of the reward node's parents are fully specified. However, there are $2^N$ such distributions (one corresponding to each intervention), acquiring which becomes prohibitive even in moderate-sized graphs. This paper dispenses with the assumption of knowing these distributions or their marginals. Two algorithms are proposed for the frequentist (UCB-based) and Bayesian (Thompson sampling-based) settings. The key idea of these algorithms is to avoid directly estimating the $2^N$ reward distributions and instead estimate the parameters that fully specify the SEMs (linear in $N$) and use them to compute the rewards. In both algorithms, under boundedness assumptions on noise and the parameter space, the cumulative regrets scale as $\tilde{\cal O} (d^{L+\frac{1}{2}} \sqrt{NT})$, where $d$ is the graph's maximum degree, and $L$ is the length of its longest causal path. Additionally, a minimax lower of $\Omega(d^{\frac{L}{2}-2}\sqrt{T})$ is presented, which suggests that the achievable and lower bounds conform in their scaling behavior with respect to the horizon $T$ and graph parameters $d$ and $L$.

Generative Models · Reasoning

Wen-Ding Li, Kevin Ellis

Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples.Such systems are practically and theoretically important:from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference.Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have "solved" PBE.We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data.We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution.We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization.Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.

Xinbei Ma, Zhuosheng Zhang, Hai Zhao

Multimodal large language models (MLLMs) have shown remarkable potential as human-like autonomous language agents to interact with real-world environments, especially for graphical user interface (GUI) automation.However, those GUI agents require comprehensive cognition including exhaustive perception and reliable action response.We propose a Comprehensive Cognitive LLM Agent, CoCo-Agent, with two novel approaches, comprehensive environment perception (CEP) and conditional action prediction (CAP), to systematically improve the GUI automation performance. First, CEP facilitates the GUI perception through different aspects and granularity, including screenshots and complementary detailed layouts for the visual channel and historical actions for the textual channel.Second, CAP decomposes the action prediction into sub-problems: determining the action type and then identifying the action target conditioned on the action type.With our technical design, our agent achieves state-of-the-art performance on AITW and META-GUI benchmarks, showing promising abilities in realistic scenarios. Code is available at https://github.com/xbmxb/CoCo-Agent.

Fanqing Meng, Wenqi Shao, Quanfeng Lu, Peng Gao, Kaipeng Zhang, Yu Qiao, Ping Luo

Charts play a vital role in data visualization, understanding data patterns, and informed decision-making. However, their unique combination of graphical elements (e.g., bars, lines) and textual components (e.g., labels, legends) poses challenges for general-purpose multimodal models. While vision-language models trained on chart data excel in comprehension, they struggle with generalization. To address these challenges, we propose ChartAssistant, a chart-based vision-language model for universal chart comprehension and reasoning. ChartAssistant leverages ChartSFT, a comprehensive dataset covering diverse chart-related tasks with basic (e.g. bars and pies) and specialized (e.g. radars, and bubbles) chart types. It undergoes a two-stage training process, starting with pre-training on chart-to-table parsing to align chart and text, followed by multitask instruction-following fine-tuning. This approach enables ChartAssistant to achieve competitive performance across various chart tasks. Experimental results demonstrate significant performance gains over the state-of-the-art UniChart and ChartLlama methods, especially outperforming them on real-world chart data with zero-shot setting. The code and data are available at https://github.com/OpenGVLab/ChartAst.

Liviu Dinu, Ana Uban, Anca Dinu, Ioan-Bogdan Iordache, Simona Georgescu, Laurentiu Zoicas

We address the open problem of automatically identifying the direction of lexical borrowing, given word pairs in the donor and recipient languages. We propose strong benchmarks for this task, by applying a set of machine learning models. We extract and publicly release a comprehensive borrowings dataset from the recent RoBoCoP cognates and borrowings database for five Romance languages. We experiment on this dataset with both graphic and phonetic representations and with different features, models and architectures. We interpret the results, in terms of F1 score, commenting on the influence of features and model choice, of the imbalanced data and of the inherent difficulty of the task for particular language pairs. We show that automatically determining the direction of borrowing is a feasible task, and propose additional directions for future work.

Zhuosheng Zhang, Aston Zhang

Autonomous graphical user interface (GUI) agents aim to facilitate task automation by interacting with the user interface without manual intervention. Recent studies have investigated eliciting the capabilities of large language models (LLMs) for effective engagement in diverse environments. To align with the input-output requirement of LLMs, most existing approaches are developed under a sandbox setting where they rely on external tools and application-specific APIs to parse the environment into textual elements and interpret the predicted actions. Consequently, those approaches often grapple with inference inefficiency and error propagation risks. To mitigate the challenges, we introduce Auto-GUI, a multimodal solution that directly interacts with the interface, bypassing the need for environment parsing or reliance on application-dependent APIs. Moreover, we propose a chain-of-action technique—leveraging a series of intermediate previous action histories and future action plans—to help the agent decide what action to execute. We evaluate our approach on a new device-control benchmark AITW with 30K unique instructions, spanning multi-step tasks such as application operation, web searching, and web shopping. Experimental results show that Auto-GUI achieves state-of-the-art performance with an action type prediction accuracy of 90% and an overall action success rate of 74%. Code is publicly available at https://github.com/cooelf/Auto-GUI.

Junfeng Fang, Shuai Zhang, Chang Wu, Zhengyi Yang, Zhiyuan Liu, Sihang Li, Kun Wang, Wenjie Du, Xiang Wang

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge repositories and advanced logical inference capabilities, has emerged as a promising way for efficient and effective MRL. Despite their potential, these methods predominantly rely on textual data, thus not fully harnessing the wealth of structural information inherent in molecular graphs. Moreover, the absence of a unified framework exacerbates the issue of insufficient data exploitation, as it hinders the sharing of interaction mechanism learned across various datasets. To address these challenges, this work proposes a novel LLM-based multi-modal framework for molecular interaction modeling following Chain-of-Thought (CoT) theory, termed MolTC, which effectively integrate graphical information of two molecules in pair. To train this integrated framework efficiently, we introduce a *multi-hierarchical CoT theory* to refine its training paradigm, and conduct a comprehensive *Molecular Interactive Instructions* dataset for the development of biochemical LLMs involving MRL.Our experiments,conducted across various datasets involving over 4,000,000 molecular pairs, exhibit the superiority of our method over current GNN and LLM-based baselines. Code is available at https://github.com/MangoKiller/MolTC.

Kanzhi Cheng, Qiushi Sun, Yougang Chu, Fangzhi Xu, Li YanTao, Jianbing Zhang, Zhiyong Wu

Graphical User Interface (GUI) agents are designed to automate complex tasks on digital devices, such as smartphones and desktops. Most existing GUI agents interact with the environment through extracted structured data, which can be notably lengthy (e.g., HTML) and occasionally inaccessible (e.g., on desktops). To alleviate this issue, we propose a novel visual GUI agent – SeeClick, which only relies on screenshots for task automation. In our preliminary study, we have discovered a key challenge in developing visual GUI agents: GUI grounding – the capacity to accurately locate screen elements based on instructions. To tackle this challenge, we propose to enhance SeeClick with GUI grounding pre-training and devise a method to automate the curation of GUI grounding data. Along with the efforts above, we have also created ScreenSpot, the first realistic GUI grounding benchmark that encompasses mobile, desktop, and web environments. After pre-training, SeeClick demonstrates significant improvement in ScreenSpot over various baselines. Moreover, comprehensive evaluations on three widely used benchmarks consistently support our finding that advancements in GUI grounding directly correlate with enhanced performance in downstream GUI agent tasks. The model, data and code will be open-sourced.

Jitai Hao, Weiwei Sun, Xin Xin, Qi Meng, Zhumin Chen, Pengjie Ren, Zhaochun Ren

Parameter-Efficient Fine-tuning (PEFT) facilitates the fine-tuning of Large Language Models (LLMs) under limited resources. However, the fine-tuning performance with PEFT on complex, knowledge-intensive tasks is limited due to the constrained model capacity, which originates from the limited number of additional trainable parameters. To overcome this limitation, we introduce a novel mechanism that fine-tunes LLMs with adapters of larger size yet memory-efficient. This is achieved by leveraging the inherent activation sparsity in the Feed-Forward Networks (FFNs) of LLMs and utilizing the larger capacity of Central Processing Unit (CPU) memory compared to Graphics Processing Unit (GPU). We store and update the parameters of larger adapters on the CPU. Moreover, we employ a Mixture of Experts (MoE)-like architecture to mitigate unnecessary CPU computations and reduce the communication volume between the GPU and CPU. This is particularly beneficial over the limited bandwidth of PCI Express (PCIe). Our method can achieve fine-tuning results comparable to those obtained with larger memory capacities, even when operating under more limited resources such as a 24GB memory single GPU setup, with acceptable loss in training efficiency. Our codes are available at https://github.com/CURRENTF/MEFT.

Deep Learning · Graph Neural Networks

Nikolas Kirschstein, Yixuan Sun

Climate change exacerbates riverine floods, which occur with higher frequency and intensity than ever. The much-needed forecasting systems typically rely on accurate river discharge predictions. To this end, the SOTA data-driven approaches treat forecasting at spatially distributed gauge stations as isolated problems, even within the same river network. However, incorporating the known topology of the river network into the prediction model has the potential to leverage the adjacency relationship between gauges. Thus, we model river discharge for a network of gauging stations with GNNs and compare the forecasting performance achieved by different adjacency definitions. Our results show that the model fails to benefit from the river network topology information, both on the entire network and small subgraphs. The learned edge weights correlate with neither of the static definitions and exhibit no regular pattern. Furthermore, the GNNs struggle to predict sudden, narrow discharge spikes. Our work hints at a more general underlying phenomenon of neural prediction not always benefitting from graphical structure and may inspire a systematic study of the conditions under which this happens.