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Applications · Computer Vision

Asmar Nadeem, Faegheh Sardari, Robert Dawes, Syed Husain, Adrian Hilton, Armin Mustafa

Existing video captioning benchmarks and models lack causal-temporal narrative, which is sequences of events linked through cause and effect, unfolding over time and driven by characters or agents. This lack of narrative restricts models’ ability to generate text descriptions that capture the causal and temporal dynamics inherent in video content. To address this gap, we propose NarrativeBridge, an approach comprising of: (1) a novel Causal-Temporal Narrative (CTN) captions benchmark generated using a large language model and few-shot prompting, explicitly encoding cause-effect temporal relationships in video descriptions; and (2) a Cause-Effect Network (CEN) with separate encoders for capturing cause and effect dynamics, enabling effective learning and generation of captions with causal-temporal narrative. Extensive experiments demonstrate that CEN significantly outperforms state-of-the-art models in articulating the causal and temporal aspects of video content: 17.88 and 17.44 CIDEr on the MSVD-CTN and MSRVTT-CTN datasets, respectively. Cross-dataset evaluations further showcase CEN’s strong generalization capabilities. The proposed framework understands and generates nuanced text descriptions with intricate causal-temporal narrative structures present in videos, addressing a critical limitation in video captioning. For project details, visit https://narrativebridge.github.io/.

Hyungjoo Chae, Namyoung Kim, Kai Ong, Minju Gwak, Gwanwoo Song, Jihoon Kim, Sunghwan Kim, Dongha Lee, Jinyoung Yeo

Large language models (LLMs) have recently gained much attention in building autonomous agents. However, performance of current LLM-based web agents in long-horizon tasks is far from optimal, often yielding errors such as repeatedly buying a non-refundable flight ticket. By contrast, humans can avoid such an irreversible mistake, as we have an awareness of the potential outcomes (e.g., losing money) of our actions, also known as the "world model". Motivated by this, our study first starts with preliminary analyses, confirming the absence of world models in current LLMs (e.g., GPT-4o, Claude-3.5-Sonnet, etc.). Then, we present a World-model-augmented (WMA) web agent, which simulates the outcomes of its actions for better decision-making. To overcome the challenges in training LLMs as world models predicting next observations, such as repeated elements across observations and long HTML inputs, we propose a transition-focused observation abstraction, where the prediction objectives are free-form natural language descriptions exclusively highlighting important state differences between time steps. Experiments on WebArena and Mind2Web show that our world models improve agents' policy selection without training and demonstrate our agents' cost- and time-efficiency compared to recent tree-search-based agents.

Theory · Learning Theory

Xiaoyi MAI, Zhenyu Liao

The assumption of Gaussian or Gaussian mixture data has been extensively exploited in a long series of precise performance analyses of machine learning (ML) methods, on large datasets having comparably numerous samples and features. To relax this restrictive assumption, subsequent efforts have been devoted to establish "Gaussian equivalent principles" by studying scenarios of Gaussian universality where the asymptotic performance of ML methods on non-Gaussian data remains unchanged when replaced with Gaussian data having the *same mean and covariance*.Beyond the realm of Gaussian universality, there are few exact results on how the data distribution affects the learning performance. In this article, we provide a precise high-dimensional characterization of empirical risk minimization, for classification under a general mixture data setting of *linear factor models* that extends Gaussian mixtures. The Gaussian universality is shown to break down under this setting, in the sense that the asymptotic learning performance depends on the data distribution *beyond* the class means and covariances.To clarify the limitations of Gaussian universality in the classification of mixture data and to understand the impact of its breakdown, we specify conditions for Gaussian universality and discuss their implications for the choice of loss function.

Applications · Computer Vision

Qiuchen Wang, Zehui Chen, Chenhongyi Yang, Jiaming Liu, Zhenyu Li, Feng Zhao

Incremental Objection Detection (IOD) facilitates the expansion of the usage scope of object detectors without forgetting previously acquired knowledge. Current approaches mostly adopt response-level knowledge distillation to overcome forgetting issues, by conducting implicit memory replay from the teacher model on new training data. However, this indirect learning paradigm does not fully leverage the knowledge generated by the teacher model. In this paper, we dive deeper into the mechanism of pseudo-labeling in incremental object detection by investigating three critical problems: (a) the upper bound quality of the pseudo labels is greatly limited by the previous model, (b) fixed score thresholds for label filtering, without considering the distribution across categories, and (c) the confidence score generated by the model does not well reflect the quality of the localization. Based on these observations, we propose a simple yet effective pseudo-labeling continual object detection framework, namely PseDet. Specifically, we introduce the spatio-temporal enhancement module to alleviate the negative effects when learning noisy data from the previous model. Considering the score distribution divergence across different classes, we propose the Categorical Adaptive Label Selector with a simple mathematical prior and fast K-Means pre-computation to dynamically determine the class-wise filtering threshold. In order to align the label score with the localization quality of the pseudo labels, we project the score through non-linear mapping to calibrate the distribution and integrate it into the new-step supervision. Extensive experiments on the competitive COCO benchmarks demonstrate the effectiveness and generalization of PseDet. Notably, it achieves 43.5+/41.2+ mAP under the 1/4-step incremental settings, achieving new state-of-the-art performance.

Deep Learning · Generative Models and Autoencoders

Wei Xiao, Johnson (Tsun-Hsuan) Wang, Chuang Gan, Ramin Hasani, Mathias Lechner, Daniela Rus

Diffusion models have shown promise in data-driven planning. While these planners are commonly employed in applications where decisions are critical, they still lack established safety guarantees. In this paper, we address this limitation by introducing SafeDiffuser, a method to equip diffusion models with safety guarantees via control barrier functions. The key idea of our approach is to embed finite-time diffusion invariance, i.e., a form of specification consisting of safety constraints, into the denoising diffusion procedure. This way we enable data generation under safety constraints. We show that SafeDiffusers maintain the generative performance of diffusion models while also providing robustness in safe data generation. We evaluate our method on a series of tasks, including maze path generation, legged robot locomotion, and 3D space manipulation, and demonstrate the advantages of robustness over vanilla diffusion models.

Applications · Computer Vision

Xin Li, Deshui Miao, Zhenyu He, Yaowei Wang, Huchuan Lu, Ming-Hsuan Yang

Tracking and segmenting multiple similar objects with distinct or complex parts in long-term videos is particularly challenging due to the ambiguity in identifying target components and the confusion caused by occlusion, background clutter, and changes in appearance or environment over time. In this paper, we propose a robust video object segmentation framework that learns spatial-semantic features and discriminative object queries to address the above issues. Specifically, we construct a spatial-semantic block comprising a semantic embedding component and a spatial dependency modeling part for associating global semantic features and local spatial features, providing a comprehensive target representation. In addition, we develop a masked cross-attention module to generate object queries that focus on the most discriminative parts of target objects during query propagation, alleviating noise accumulation to ensure effective long-term query propagation. The experimental results show that the proposed method sets new state-of-the-art performance on multiple data sets, including the DAVIS2017 test (\textbf{87.8\%}), YoutubeVOS 2019 (\textbf{88.1\%}), MOSE val (\textbf{74.0\%}), and LVOS test (\textbf{73.0\%}), which demonstrate the effectiveness and generalization capacity of the proposed method. We will make all the source code and trained models publicly available.

Deep Learning · Generative Models and Autoencoders

David Lüdke, Enric Rabasseda Raventós, Marcel Kollovieh, Stephan Günnemann

Point processes model the distribution of random point sets in mathematical spaces, such as spatial and temporal domains, with applications in fields like seismology, neuroscience, and economics.Existing statistical and machine learning models for point processes are predominantly constrained by their reliance on the characteristic intensity function, introducing an inherent trade-off between efficiency and flexibility.In this paper, we introduce Point Set Diffusion, a diffusion-based latent variable model that can represent arbitrary point processes on general metric spaces without relying on the intensity function.By directly learning to stochastically interpolate between noise and data point sets, our approach effectively captures the distribution of point processes and enables efficient, parallel sampling and flexible generation for complex conditional tasks.Experiments on synthetic and real-world datasets demonstrate that Point Set Diffusion achieves state-of-the-art performance in unconditional and conditional generation of spatial and spatiotemporal point processes while providing up to orders of magnitude faster sampling.

Applications · Genetics, Cell Biology, Health, etc

Zhenyi Zhang, Tiejun Li, Peijie Zhou

Reconstructing dynamics using samples from sparsely time-resolved snapshots is an important problem in both natural sciences and machine learning. Here, we introduce a new deep learning approach for solving regularized unbalanced optimal transport (RUOT) and inferring continuous unbalanced stochastic dynamics from observed snapshots. Based on the RUOT form, our method models these dynamics without requiring prior knowledge of growth and death processes or additional information, allowing them to be learned directly from data. Theoretically, we explore the connections between the RUOT and Schrödinger bridge problem and discuss the key challenges and potential solutions. The effectiveness of our method is demonstrated with a synthetic gene regulatory network, high-dimensional Gaussian Mixture Model, and single-cell RNA-seq data from blood development. Compared with other methods, our approach accurately identifies growth and transition patterns, eliminates false transitions, and constructs the Waddington developmental landscape. Our code is available at: [https://github.com/zhenyiizhang/DeepRUOT](https://github.com/zhenyiizhang/DeepRUOT).

Deep Learning · Graph Neural Networks

Mahalakshmi Sabanayagam, Lukas Gosch, Stephan Günnemann, Debarghya Ghoshdastidar

Machine learning models are highly vulnerable to label flipping, i.e., the adversarial modification (poisoning) of training labels to compromise performance. Thus, deriving robustness certificates is important to guarantee that test predictions remain unaffected and to understand worst-case robustness behavior. However, for Graph Neural Networks (GNNs), the problem of certifying label flipping has so far been unsolved. We change this by introducing an exact certification method, deriving both sample-wise and collective certificates. Our method leverages the Neural Tangent Kernel (NTK) to capture the training dynamics of wide networks enabling us to reformulate the bilevel optimization problem representing label flipping into a Mixed-Integer Linear Program (MILP). We apply our method to certify a broad range of GNN architectures in node classification tasks. Thereby, concerning the worst-case robustness to label flipping: $(i)$ we establish hierarchies of GNNs on different benchmark graphs; $(ii)$ quantify the effect of architectural choices such as activations, depth and skip-connections; and surprisingly, $(iii)$ uncover a novel phenomenon of the robustness plateauing for intermediate perturbation budgets across all investigated datasets and architectures. While we focus on GNNs, our certificates are applicable to sufficiently wide NNs in general through their NTK. Thus, our work presents the first exact certificate to a poisoning attack ever derived for neural networks, which could be of independent interest. The code is available at https://github.com/saper0/qpcert.

Deep Learning · Large Language Models

Haotian Zhang, Mingfei Gao, Zhe Gan, Philipp Dufter, Nina Wenzel, Forrest Huang, Dhruti Shah, Xianzhi Du, Bowen Zhang, Yanghao Li 等

We present MM1.5, a new family of multimodal large language models (MLLMs) designed to enhance capabilities in text-rich image understanding, visual referring and grounding, and multi-image reasoning. Building upon the MM1 architecture, MM1.5 adopts a data-centric approach to model training, systematically exploring the impact of diverse data mixtures across the entire model training lifecycle. This includes high-quality OCR data and synthetic captions for continual pre-training, as well as an optimized visual instruction-tuning data mixture for supervised fine-tuning. Our models range from 1B to 30B parameters, encompassing both dense and mixture-of-experts (MoE) variants, and demonstrate that careful data curation and training strategies can yield strong performance even at small scales (1B and 3B). Additionally, we introduce two specialized variants: MM1.5-Video, designed for video understanding, and MM1.5-UI, tailored for mobile UI understanding. Through extensive empirical studies and ablations, we provide detailed insights into the training processes and decisions that inform our final designs, offering valuable guidance for future research in MLLM development.

Applications · Chemistry and Drug Discovery

Gang Liu, Srijit Seal, John Arevalo, Zhenwen Liang, Anne Carpenter, Meng Jiang, Shantanu Singh

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods. Empirically, we validate representations from InfoAlign in two downstream applications: molecular property prediction against up to 27 baseline methods across four datasets, plus zero-shot molecule-morphology matching. The code and model are available at https://github.com/liugangcode/InfoAlign.

Applications · Computer Vision

Can Jin, Ying Li, Mingyu Zhao, Shiyu Zhao, Zhenting Wang, Xiaoxiao He, Ligong Han, Tong Che, Dimitris Metaxas

Visual prompting has gained popularity as a method for adapting pre-trained models to specific tasks, particularly in the realm of parameter-efficient tuning. However, existing visual prompting techniques often pad the prompt parameters around the image, limiting the interaction between the visual prompts and the original image to a small set of patches while neglecting the inductive bias present in shared information across different patches. In this study, we conduct a thorough preliminary investigation to identify and address these limitations. We propose a novel visual prompt design, introducing **Lo**w-**R**ank matrix multiplication for **V**isual **P**rompting (LoR-VP), which enables shared and patch-specific information across rows and columns of image pixels. Extensive experiments across seven network architectures and four datasets demonstrate significant improvements in both performance and efficiency compared to state-of-the-art visual prompting methods, achieving up to $6\times$ faster training times, utilizing $18\times$ fewer visual prompt parameters, and delivering a 3.1% improvement in performance.

Deep Learning · Generative Models and Autoencoders

Chen Dengsheng, Jie Hu, Xiaoming Wei, Enhua Wu

Joint-embedding predictive architectures (JEPAs) have shown substantial promise in self-supervised representation learning, yet their application in generative modeling remains underexplored. Conversely, diffusion models have demonstrated significant efficacy in modeling arbitrary probability distributions. In this paper, we introduce Denoising with a Joint-Embedding Predictive Architecture (D-JEPA), pioneering the integration of JEPA within generative modeling. By recognizing JEPA as a form of masked image modeling, we reinterpret it as a generalized next-token prediction strategy, facilitating data generation in an auto-regressive manner. Furthermore, we incorporate diffusion loss to model the per-token probability distribution, enabling data generation in a continuous space. We also adapt flow matching loss as an alternative to diffusion loss, thereby enhancing the flexibility of D-JEPA. Empirically, with increased GFLOPs, D-JEPA consistently achieves lower FID scores with fewer training epochs, indicating its good scalability. Our base, large, and huge models outperform all previous generative models across all scales on ImageNet conditional generation benchmarks. Beyond image generation, D-JEPA is well-suited for other continuous data modeling, including video and audio.

Applications · Everything Else

Weixian Lei, Difei Gao, Mike Zheng Shou

Recent advancements in Multimodal Large Language Models (MLLMs) have accelerated the development of Graphical User Interface (GUI) agents capable of automating complex tasks across digital platforms. However, precise GUI element grounding remains a key challenge for accurate interaction and generalization. In this work, we present an effective GUI grounding framework, which includes an automated data collection engine that gathers extensive GUI screenshots and annotations to ensure broad generalization. We also propose a lightweight and flexible GUI grounding module designed to efficiently localize UI elements by pre-training on the collected data, and introduce a novel method to integrate this module with MLLMs for the effective execution of GUI tasks. Our approach demonstrates superior performance in task accuracy and adaptability, as validated by benchmarks such as ScreenSpot, MiniWob, AITW, and Mind2Web.

Social Aspects · Trustworthy Machine Learning

Hanrong Zhang, Jingyuan Huang, Kai Mei, Yifei Yao, Zhenting Wang, Chenlu Zhan, Hongwei Wang, Yongfeng Zhang

Although LLM-based agents, powered by Large Language Models (LLMs), can use external tools and memory mechanisms to solve complex real-world tasks, they may also introduce critical security vulnerabilities. However, the existing literature does not comprehensively evaluate attacks and defenses against LLM-based agents. To address this, we introduce Agent Security Bench (ASB), a comprehensive framework designed to formalize, benchmark, and evaluate the attacks and defenses of LLM-based agents, including 10 scenarios (e.g., e-commerce, autonomous driving, finance), 10 agents targeting the scenarios, over 400 tools, 27 different types of attack/defense methods, and 7 evaluation metrics. Based on ASB, we benchmark 10 prompt injection attacks, a memory poisoning attack, a novel Plan-of-Thought backdoor attack, 4 mixed attacks, and 11 corresponding defenses across 13 LLM backbones. Our benchmark results reveal critical vulnerabilities in different stages of agent operation, including system prompt, user prompt handling, tool usage, and memory retrieval, with the highest average attack success rate of 84.30\%, but limited effectiveness shown in current defenses, unveiling important works to be done in terms of agent security for the community. We also introduce a new metric to evaluate the agents' capability to balance utility and security. Our code can be found at https://github.com/agiresearch/ASB.

Guangyan Sun, Mingyu Jin, Zhenting Wang, Chenglong Wang, Siqi Ma, Qifan Wang, Tong Geng, Yingnian Wu, Yongfeng Zhang, Dongfang Liu

Achieving human-level intelligence requires refining cognitive distinctions between \textit{System 1} and \textit{System 2} thinking. While contemporary AI, driven by large language models, demonstrates human-like traits, it falls short of genuine cognition. Transitioning from structured benchmarks to real-world scenarios presents challenges for visual agents, often leading to inaccurate and overly confident responses. To address the challenge, we introduce \textbf{\textsc{FaST}}, which incorporates the \textbf{Fa}st and \textbf{S}low \textbf{T}hinking mechanism into visual agents. \textsc{FaST} employs a switch adapter to dynamically select between \textit{System 1/2} modes, tailoring the problem-solving approach to different task complexity. It tackles uncertain and unseen objects by adjusting model confidence and integrating new contextual data. With this novel design, we advocate a \textit{flexible system}, \textit{hierarchical reasoning} capabilities, and a \textit{transparent decision-making} pipeline, all of which contribute to its ability to emulate human-like cognitive processes in visual intelligence. Empirical results demonstrate that \textsc{FaST} outperforms various well-known baselines, achieving 80.8\% accuracy over $VQA^{v2}$ for visual question answering and 48.7\% $GIoU$ score over ReasonSeg for reasoning segmentation, demonstrate \textsc{FaST}'s superior performance. Extensive testing validates the efficacy and robustness of \textsc{FaST}'s core components, showcasing its potential to advance the development of cognitive visual agents in AI systems.

Zhenting Qi, Hanlin Zhang, Eric P Xing, Sham Kakade, Hima Lakkaraju

Retrieval-Augmented Generation (RAG) improves pre-trained models by incorporating external knowledge at test time to enable customized adaptation. We study the risk of datastore leakage in Retrieval-In-Context RAG Language Models (LMs). We show that an adversary can exploit LMs' instruction-following capabilities to easily extract text data verbatim from the datastore of RAG systems built with instruction-tuned LMs via prompt injection. The vulnerability exists for a wide range of modern LMs that span Llama2, Mistral/Mixtral, Vicuna, SOLAR, WizardLM, Qwen1.5, and Platypus2, and the exploitability exacerbates as the model size scales up. We also study multiple effects of RAG setup on the extractability of data, indicating that following unexpected instructions to regurgitate data can be an outcome of failure in effectively utilizing contexts for modern LMs, and further show that such vulnerability can be greatly mitigated by position bias elimination strategies. Extending our study to production RAG models, GPTs, we design an attack that can cause datastore leakage with a near-perfect success rate on 25 randomly selected customized GPTs with at most 2 queries, and we extract text data verbatim at a rate of 41\% from a book of 77,000 words and 3\% from a corpus of 1,569,000 words by prompting the GPTs with only 100 queries generated by themselves.

Deep Learning · Large Language Models

Zhenting Qi, Mingyuan MA, Jiahang Xu, Li Lyna Zhang, Fan Yang, Mao Yang

This paper introduces rStar, a self-play mutual reasoning approach that significantly improves reasoning capabilities of small language models (SLMs) without fine-tuning or superior models. rStar decouples reasoning into a self-play mutual generation-discrimination process. First, a target SLM augments the Monte Carlo Tree Search (MCTS) with a rich set of human-like reasoning actions to construct higher quality reasoning trajectories. Next, another SLM, with capabilities similar to the target SLM, acts as a discriminator to verify each trajectory generated by the target SLM. The mutually agreed reasoning trajectories are considered mutual consistent, thus are more likely to be correct. Extensive experiments across five SLMs demonstrate rStar can effectively solve diverse reasoning problems, including GSM8K, GSM-Hard, MATH, SVAMP, and StrategyQA. Remarkably, rStar boosts GSM8K accuracy from 12.51\% to 63.91\% for LLaMA2-7B, from 36.46\% to 81.88\% for Mistral-7B, from 74.53\% to 91.13\% for LLaMA3-8B-Instruct. Code is available at https://github.com/zhentingqi/rStar.

Theory · Deep Learning

Spencer Frei, Gal Vardi

Transformers have the capacity to act as supervised learning algorithms: by properly encoding a set of labeled training (''in-context'') examples and an unlabeled test example into an input sequence of vectors of the same dimension, the forward pass of the transformer can produce predictions for that unlabeled test example. A line of recent work has shown that when linear transformers are pre-trained on random instances for linear regression tasks, these trained transformers make predictions using an algorithm similar to that of ordinary least squares. In this work, we investigate the behavior of linear transformers trained on random linear classification tasks. Via an analysis of the implicit regularization of gradient descent, we characterize how many pre-training tasks and in-context examples are needed for the trained transformer to generalize well at test-time. We further show that in some settings, these trained transformers can exhibit ''benign overfitting in-context'': when in-context examples are corrupted by label flipping noise, the transformer memorizes all of its in-context examples (including those with noisy labels) yet still generalizes near-optimally for clean test examples.

Applications · Language, Speech and Dialog

Weiwei Lin, Chenhang HE

We propose a novel autoregressive modeling approach for speech synthesis, combining a variational autoencoder (VAE) with a multi-modal latent space and an autoregressive model that uses Gaussian Mixture Models (GMM) as the conditional probability distribution. Unlike previous methods that rely on residual vector quantization, our model leverages continuous speech representations from the VAE's latent space, greatly simplifying the training and inference pipelines. We also introduce a stochastic monotonic alignment mechanism to enforce strict monotonic alignments. Our approach significantly outperforms the state-of-the-art autoregressive model VALL-E in both subjective and objective evaluations, achieving these results with only 10.3\% of VALL-E's parameters. This demonstrates the potential of continuous speech language models as a more efficient alternative to existing quantization-based speech language models. Sample audio can be found at \url{https://tinyurl.com/gmm-lm-tts}.