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Deep Learning · Graph Neural Networks

Daeho Um, Jongin Lim, Sunoh Kim, Yuneil Yeo, Yoonho Jung

Node-level out-of-distribution (OOD) detection on graphs has received significant attention from the machine learning community. However, previous approaches are evaluated using unrealistic benchmarks that consider only randomly selected OOD nodes, failing to reflect the interactions among nodes. In this paper, we introduce a new challenging task to model the interactions of OOD nodes in a graph, termed spreading OOD detection, where a newly emerged OOD node spreads its property to neighboring nodes. We curate realistic benchmarks by employing the epidemic spreading models that simulate the spreading of OOD nodes on the graph. We also showcase a ``Spreading COVID-19" dataset to demonstrate the applicability of spreading OOD detection in real-world scenarios. Furthermore, to effectively detect spreading OOD samples under the proposed benchmark setup, we present a new approach called energy distribution-based detector (EDBD), which includes a novel energy-aggregation scheme. EDBD is designed to mitigate undesired mixing of OOD scores between in-distribution (ID) and OOD nodes. Our extensive experimental results demonstrate the superiority of our approach over state-of-the-art methods in both spreading OOD detection and conventional node-level OOD detection tasks across seven benchmark datasets. The source code is available at https://github.com/daehoum1/edbd.

Probabilistic Methods · Graphical Models

Fiorenzo Parascandolo, Nicholas Moratelli, Enver Sangineto, Lorenzo Baraldi, Rita Cucchiara

Recent work has empirically shown that Vision-Language Models (VLMs) struggleto fully understand the compositional properties of the human language, usuallymodeling an image caption as a “bag of words”. As a result, they performpoorly on compositional tasks, which require a deeper understanding of the differententities of a sentence (subject, verb, etc.) jointly with their mutual relationshipsin order to be solved. In this paper, we model the dependency relationsamong textual and visual tokens using a Causal Graphical Model (CGM), built usinga dependency parser, and we train a decoder conditioned by the VLM visualencoder. Differently from standard autoregressive or parallel predictions, our decoder’sgenerative process is partially-ordered following the CGM structure. Thisstructure encourages the decoder to learn only the main causal dependencies ina sentence discarding spurious correlations. Using extensive experiments on fivecompositional benchmarks, we show that our method significantly outperformsall the state-of-the-art compositional approaches by a large margin, and it also improvesover methods trained using much larger datasets. Our model weights and code are publicly available.

Deep Learning · Sequential Models, Time series

Manuel Brenner, Elias Weber, Georgia Koppe, Daniel Durstewitz

In science, we are often interested in obtaining a generative model of the underlying system dynamics from observed time series. While powerful methods for dynamical systems reconstruction (DSR) exist when data come from a single domain, how to best integrate data from multiple dynamical regimes and leverage it for generalization is still an open question. This becomes particularly important when individual time series are short, and group-level information may help to fill in for gaps in single-domain data. Here we introduce a hierarchical framework that enables to harvest group-level (multi-domain) information while retaining all single-domain characteristics, and showcase it on popular DSR benchmarks, as well as on neuroscience and medical data. In addition to faithful reconstruction of all individual dynamical regimes, our unsupervised methodology discovers common low-dimensional feature spaces in which datasets with similar dynamics cluster. The features spanning these spaces were further dynamically highly interpretable, surprisingly in often linear relation to control parameters that govern the dynamics of the underlying system. Finally, we illustrate transfer learning and generalization to new parameter regimes, paving the way toward DSR foundation models.

Deep Learning · Self-Supervised Learning

Hongjun Wang, Sagar Vaze, Kai Han

Generalized Category Discovery (GCD) is a challenging task in which, given a partially labelled dataset, models must categorize all unlabelled instances, regardless of whether they come from labelled categories or from new ones. In this paper, we challenge a remaining assumption in this task: that all images share the same domain. Specifically, we introduce a new task and method to handle GCD when the unlabelled data also contains images from different domains to the labelled set. Our proposed `HiLo' networks extract High-level semantic and Low-level domain features, before minimizing the mutual information between the representations. Our intuition is that the clusterings based on domain information and semantic information should be independent. We further extend our method with a specialized domain augmentation tailored for the GCD task, as well as a curriculum learning approach. Finally, we construct a benchmark from corrupted fine-grained datasets as well as a large-scale evaluation on DomainNet with real-world domain shifts, reimplementing a number of GCD baselines in this setting. We demonstrate that HiLo outperforms SoTA category discovery models by a large margin on all evaluations.

Applications · Robotics

Arth Shukla, Stone Tao, Hao Su

High-quality benchmarks are the foundation for embodied AI research, enabling significant advancements in long-horizon navigation, manipulation and rearrangement tasks. However, as frontier tasks in robotics get more advanced, they require faster simulation speed, more intricate test environments, and larger demonstration datasets. To this end, we present MS-HAB, a holistic benchmark for low-level manipulation and in-home object rearrangement. First, we provide a GPU-accelerated implementation of the Home Assistant Benchmark (HAB). We support realistic low-level control and achieve over 3x the speed of prior magical grasp implementations at a fraction of the GPU memory usage. Second, we train extensive reinforcement learning (RL) and imitation learning (IL) baselines for future work to compare against. Finally, we develop a rule-based trajectory filtering system to sample specific demonstrations from our RL policies which match predefined criteria for robot behavior and safety. Combining demonstration filtering with our fast environments enables efficient, controlled data generation at scale.

Applications · Language, Speech and Dialog

Thomas Zollo, Andrew Siah, Naimeng Ye, Li, Hongseok Namkoong

As LLMs become capable of complex tasks, there is growing potential for personalized interactions tailored to the subtle and idiosyncratic preferences of the user. We present a public benchmark, PersonalLLM, focusing on adapting LLMs to provide maximal benefits for a particular user. Departing from existing alignment benchmarks that implicitly assume uniform preferences, we curate open-ended prompts paired with many high-quality answers over which users would be expected to display heterogeneous latent preferences. Instead of persona prompting LLMs based on high-level attributes (e.g., user race or response length), which yields homogeneous preferences relative to humans, we develop a method that can simulate a large user base with diverse preferences from a set of pre-trained reward models. Our dataset and generated personalities offer an innovative testbed for developing personalization algorithms that grapple with continual data sparsity---few relevant feedback from the particular user---by leveraging historical data from other (similar) users. We explore basic in-context learning and meta-learning baselines to illustrate the utility of PersonalLLM and highlight the need for future methodological development.

Applications · Language, Speech and Dialog

Melanie Sclar, Jane Dwivedi-Yu, Maryam Fazel-Zarandi, Yulia Tsvetkov, Yonatan Bisk, Yejin Choi, Asli Celikyilmaz

Do large language models (LLMs) have theory of mind? A plethora of papers and benchmarks have been introduced to evaluate if current models have been able to develop this key ability of social intelligence. However, all rely on limited datasets with simple patterns that can potentially lead to problematic blind spots in evaluation and an overestimation of model capabilities. We introduce ExploreToM, the first framework to allow large-scale generation of diverse and challenging theory of mind data for robust training and evaluation. Our approach leverages an A* search over a custom domain-specific language to produce complex story structures and novel, diverse, yet plausible scenarios to stress test the limits of LLMs. Our evaluation reveals that state-of-the-art LLMs, such as Llama-3.1-70B and GPT-4o, show accuracies as low as 0% and 9% on ExploreToM-generated data, highlighting the need for more robust theory of mind evaluation. As our generations are a conceptual superset of prior work, fine-tuning on our data yields a 27-point accuracy improvement on the classic ToMi benchmark (Le et al., 2019). ExploreToM also enables uncovering underlying skills and factors missing for models to show theory of mind, such as unreliable state tracking or data imbalances, which may contribute to models' poor performance on benchmarks.

Deep Learning · Large Language Models

Yukun Huang, Sanxing Chen, Hongyi Cai, Bhuwan Dhingra

Large Language Models (LLMs) are often augmented with external contexts, such as those used in retrieval-augmented generation (RAG). However, these contexts can be inaccurate or intentionally misleading, leading to conflicts with the model’s internal knowledge. We argue that robust LLMs should demonstrate situated faithfulness, dynamically calibrating their trust in external information based on their confidence in the internal knowledge and the external context to resolve knowledge conflicts. To benchmark this capability, we evaluate LLMs across several QA datasets, including a newly created dataset featuring in-the-wild incorrect contexts sourced from Reddit posts. We show that when provided with both correct and incorrect contexts, both open-source and proprietary models tend to overly rely on external information, regardless of its factual accuracy. To enhance situated faithfulness, we propose two approaches: Self-Guided Confidence Reasoning (SCR) and Rule-Based Confidence Reasoning (RCR). SCR enables models to self-access the confidence of external information relative to their own internal knowledge to produce the most accurate answer. RCR, in contrast, extracts explicit confidence signals from the LLM and determines the final answer using predefined rules. Our results show that for LLMs with strong reasoning capabilities, such as GPT-4o and GPT-4o mini, SCR outperforms RCR, achieving improvements of up to 24.2\% over a direct input augmentation baseline. Conversely, for a smaller model like Llama-3-8B, RCR outperforms SCR. Fine-tuning SCR with our proposed Confidence Reasoning Direct Preference Optimization (CR-DPO) method improves performance on both seen and unseen datasets, yielding an average improvement of 8.9\% on Llama-3-8B. In addition to quantitative results, we offer insights into the relative strengths of SCR and RCR. Our findings highlight promising avenues for improving situated faithfulness in LLMs.

Social Aspects · Trustworthy Machine Learning

Yukun Chen, Shuo Shao, Enhao Huang, Yiming Li, Pin-Yu Chen, Zhan Qin, Kui Ren

Backdoor attacks on deep neural networks (DNNs) have emerged as a significant security threat, allowing adversaries to implant hidden malicious behaviors during the model training phase. Pre-processing-based defense, which is one of the most important defense paradigms, typically focuses on input transformations or backdoor trigger inversion (BTI) to deactivate or eliminate embedded backdoor triggers during the inference process. However, these methods suffer from inherent limitations: transformation-based defenses often fail to balance model utility and defense performance, while BTI-based defenses struggle to accurately reconstruct trigger patterns without prior knowledge. In this paper, we propose REFINE, an inversion-free backdoor defense method based on model reprogramming. REFINE consists of two key components: \textbf{(1)} an input transformation module that disrupts both benign and backdoor patterns, generating new benign features; and \textbf{(2)} an output remapping module that redefines the model's output domain to guide the input transformations effectively. By further integrating supervised contrastive loss, REFINE enhances the defense capabilities while maintaining model utility. Extensive experiments on various benchmark datasets demonstrate the effectiveness of our REFINE and its resistance to potential adaptive attacks.

Applications · Everything Else

Lukas Rauch, Raphael Schwinger, Moritz Wirth, René Heinrich, Denis Huseljic, Marek Herde, Jonas Lange, Stefan Kahl, Bernhard Sick, Sven Tomforde 等

Deep learning (DL) has greatly advanced audio classification, yet the field is limited by the scarcity of large-scale benchmark datasets that have propelled progress in other domains. While AudioSet is a pivotal step to bridge this gap as a universal-domain dataset, its restricted accessibility and limited range of evaluation use cases challenge its role as the sole resource. Therefore, we introduce BirdSet, a large-scale benchmark data set for audio classification focusing on avian bioacoustics. BirdSet surpasses AudioSet with over 6,800 recording hours ($\uparrow17\%$) from nearly 10,000 classes ($\uparrow18\times$) for training and more than 400 hours ($\uparrow7\times$) across eight strongly labeled evaluation datasets. It serves as a versatile resource for use cases such as multi-label classification, covariate shift or self-supervised learning. We benchmark six well-known DL models in multi-label classification across three distinct training scenarios and outline further evaluation use cases in audio classification. We host our dataset on Hugging Face for easy accessibility and offer an extensive codebase to reproduce our results.

Deep Learning · Large Language Models

Renjie Pi, Jianshu Zhang, Tianyang Han, Jipeng Zhang, Rui Pan, Tong Zhang

Recent advancements in multimodal large language models (MLLMs) have demonstrated significant progress; however, these models exhibit a notable limitation, which we refer to as "face blindness." Specifically, they can engage in general conversations but fail to conduct personalized dialogues targeting at specific individuals. This deficiency hinders the application of MLLMs in personalized settings, such as tailored visual assistants on mobile devices, or domestic robots that need to recognize members of the family. In this paper, we introduce Personalized Visual Instruction Tuning (PVIT), a novel data curation and training framework designed to enable MLLMs to identify target individuals within an image and engage in personalized and coherent dialogues. Our approach involves the development of a sophisticated pipeline that autonomously generates training data containing personalized conversations. This pipeline leverages the capabilities of various visual experts, image generation models, and (multi-modal) large language models. To evaluate the personalized potential of MLLMs, we present a benchmark called P-Bench, which encompasses various question types with different levels of difficulty. The experiments demonstrate a substantial personalized performance enhancement after fine-tuning with our curated dataset.

Xilong Wang, Hao Fu, Jindong Wang, Neil Gong

String processing, which mainly involves the analysis and manipulation of strings, is a fundamental component of modern computing. Despite the significant advancements of large language models (LLMs) in various natural language processing (NLP) tasks, their capability in string processing remains underexplored and underdeveloped. To bridge this gap, we present a comprehensive study of LLMs' string processing capability. In particular, we first propose StringLLM, a method to construct datasets for benchmarking string processing capability of LLMs. We use StringLLM to build a series of datasets, referred to as StringBench. It encompasses a wide range of string processing tasks, allowing us to systematically evaluate LLMs' performance in this area. Our evaluations indicate that LLMs struggle with accurately processing strings compared to humans. To uncover the underlying reasons for this limitation, we conduct an in-depth analysis and subsequently propose an effective approach that significantly enhances LLMs' string processing capability via fine-tuning. This work provides a foundation for future research to understand LLMs' string processing capability. Our code and data are available at https://github.com/wxl-lxw/StringLLM.

Applications · Computer Vision

James Burgess, Xiaohan Wang, Yuhui Zhang, Anita Rau, Alejandro Lozano, Lisa Dunlap, trevor darrell, Serena Yeung

How do two individuals differ when performing the same action? In this work, we introduce Video Action Differencing (VidDiff), the novel task of identifying subtle differences between videos of the same action, which has numerous applications, such as coaching and skill learning. To enable development on this new task, we first create VidDiffBench, a benchmark dataset containing 549 video pairs, with human annotations of 4,469 fine-grained action differences and 2,075 timestamps indicating where these differences occur. Our experiments demonstrate that VidDiffBench poses a significant challenge for state-of-the-art large multimodal models (LMMs), such as GPT-4o and Qwen2-VL. By analyzing the failure cases of LMMs on VidDiffBench, we highlight two key challenges for this task: localizing relevant sub-actions over two videos and fine-grained frame comparison. To overcome these, we propose the VidDiff method, an agentic workflow that breaks the task into three stages: action difference proposal, keyframe localization, and frame differencing, each stage utilizing specialized foundation models. To encourage future research in this new task, we release the benchmark and code.

Probabilistic Methods · Everything Else

Luca Pinchetti, Chang Qi, Oleh Lokshyn, Cornelius Emde, Amine M'Charrak, Mufeng Tang, Simon Frieder, Bayar Menzat, Gaspard Oliviers, Rafal Bogacz 等

In this work, we tackle the problems of efficiency and scalability for predictive coding networks (PCNs) in machine learning. To do so, we propose a library that focuses on performance and simplicity, and use it to implement a large set of standard benchmarks for the community to use for their experiments. As most works in the field propose their own tasks and architectures, do not compare one against each other, and focus on small-scale tasks, a simple and fast open-source library, and a comprehensive set of benchmarks, would address all of these concerns. Then, we perform extensive tests on such benchmarks using both existing algorithms for PCNs, as well as adaptations of other methods popular in the bio-plausible deep learning community. All of this has allowed us to (i) test architectures much larger than commonly used in the literature, on more complex datasets; (ii) reach new state-of-the-art results in all of the tasks and dataset provided; (iii) clearly highlight what the current limitations of PCNs are, allowing us to state important future research directions. With the hope of galvanizing community efforts towards one of the main open problems in the field, scalability, we will release the code, tests, and benchmarks.

Deep Learning · Generative Models and Autoencoders

Nate Gillman, Daksh Aggarwal, Michael Freeman, Chen Sun

As the quality of large language models has improved, there has been increased interest in using them to model non-linguistic tokens. For example, the Decision Transformer recasts agentic decision making as a sequence modeling problem, using a decoder-only LLM to model the distribution over the discrete action space for an Atari agent. However, when adapting LLMs to non-linguistic domains, it remains unclear if softmax over discrete bins captures the continuous structure of the tokens and the potentially complex distributions needed for high quality token generation. We introduce a neural network layer, constructed using Fourier series, which we can easily substitute for any linear layer if we want the outputs to have a more continuous structure. We perform extensive analysis on synthetic datasets, as well as on large-scale decision making and time series forecasting tasks. We also provide theoretical evidence that this layer can better learn signal from data while ignoring high-frequency noise. All of our results support the effectiveness of our proposed Fourier head in scenarios where the underlying data distribution has a natural continuous structure. For example, the Fourier head improves a Decision Transformer agent's returns across four benchmark Atari games by as much as 377\%, and increases a state-of-the-art times series foundation model's forecasting performance by 3.5\% across 20 benchmarks unseen during training.We release our implementation at https://nategillman.com/fourier-head

Applications · Computer Vision

Yufan Chen, Ruiping Liu, Junwei Zheng, Di Wen, Kunyu Peng, Jiaming Zhang, Rainer Stiefelhagen

When reading a document, glancing at the spatial layout of a document is an initial step to understand it roughly. Traditional document layout analysis (DLA) methods, however, offer only a superficial parsing of documents, focusing on basic instance detection and often failing to capture the nuanced spatial and logical relationships between instances. These limitations hinder DLA-based models from achieving a gradually deeper comprehension akin to human reading. In this work, we propose a novel graph-based Document Structure Analysis (gDSA) task. This task requires that model not only detects document elements but also generates spatial and logical relations in form of a graph structure, allowing to understand documents in a holistic and intuitive manner. For this new task, we construct a relation graph-based document structure analysis dataset(GraphDoc) with 80K document images and 4.13M relation annotations, enabling training models to complete multiple tasks like reading order, hierarchical structures analysis, and complex inter-element relationship inference. Furthermore, a document relation graph generator (DRGG) is proposed to address the gDSA task, which achieves performance with 57.6% at $mAP_g$@$0.5$ for a strong benchmark baseline on this novel task and dataset. We hope this graphical representation of document structure can mark an innovative advancement in document structure analysis and understanding. The new dataset and code will be made publicly available.

Deep Learning · Large Language Models

Zhenrui Yue, Honglei Zhuang, Aijun Bai, Kai Hui, Rolf Jagerman, Hansi Zeng, Zhen Qin, Dong Wang, Xuanhui Wang, Michael Bendersky

The scaling of inference computation has unlocked the potential of long-context large language models (LLMs) across diverse settings. For knowledge-intensive tasks, the increased compute is often allocated to incorporate more external knowledge. However, without effectively utilizing such knowledge, solely expanding context does not always enhance performance. In this work, we investigate inference scaling for retrieval augmented generation (RAG), exploring the combination of multiple strategies beyond simply increasing the quantity of knowledge, including in-context learning and iterative prompting. These strategies provide additional flexibility to scale test-time computation (e.g., by increasing retrieved documents or generation steps), thereby enhancing LLMs’ ability to effectively acquire and utilize contextual information. We address two key questions: (1) How does RAG performance benefit from the scaling of inference computation when optimally configured? (2) Can we predict the optimal test-time compute allocation for a given budget by modeling the relationship between RAG performance and inference parameters? Our observations reveal that increasing inference computation leads to nearly linear gains in RAG performance when optimally allocated, a relationship we describe as the inference scaling laws for RAG. Building on this, we further develop the computation allocation model to estimate RAG performance across different inference configurations. The model predicts optimal inference parameters under various computation constraints, which align closely with the experimental results. By applying these optimal configurations, we demonstrate that scaling inference compute on long-context LLMs achieves up to 58.9% gains on benchmark datasets compared to standard RAG.

Zhenrui Yue, Honglei Zhuang, Aijun Bai, Kai Hui, Rolf Jagerman, Hansi Zeng, Zhen Qin, Dong Wang, Xuanhui Wang, Michael Bendersky

The scaling of inference computation has unlocked the potential of long-context large language models (LLMs) across diverse settings. For knowledge-intensive tasks, the increased compute is often allocated to incorporate more external knowledge. However, without effectively utilizing such knowledge, solely expanding context does not always enhance performance. In this work, we investigate inference scaling for retrieval augmented generation (RAG), exploring the combination of multiple strategies beyond simply increasing the quantity of knowledge, including in-context learning and iterative prompting. These strategies provide additional flexibility to scale test-time computation (e.g., by increasing retrieved documents or generation steps), thereby enhancing LLMs’ ability to effectively acquire and utilize contextual information. We address two key questions: (1) How does RAG performance benefit from the scaling of inference computation when optimally configured? (2) Can we predict the optimal test-time compute allocation for a given budget by modeling the relationship between RAG performance and inference parameters? Our observations reveal that increasing inference computation leads to nearly linear gains in RAG performance when optimally allocated, a relationship we describe as the inference scaling laws for RAG. Building on this, we further develop the computation allocation model to estimate RAG performance across different inference configurations. The model predicts optimal inference parameters under various computation constraints, which align closely with the experimental results. By applying these optimal configurations, we demonstrate that scaling inference compute on long-context LLMs achieves up to 58.9% gains on benchmark datasets compared to standard RAG.

Deep Learning · Robustness

Artem Vysogorets, Kartik Ahuja, Julia Kempe

In the era of exceptionally data-hungry models, careful selection of the training data is essential to mitigate the extensive costs of deep learning. Data pruning offers a solution by removing redundant or uninformative samples from the dataset, which yields faster convergence and improved neural scaling laws. However, little is known about its impact on classification bias of the trained models. We conduct the first systematic study of this effect and reveal that existing data pruning algorithms can produce highly biased classifiers. We present theoretical analysis of the classification risk in a mixture of Gaussians to argue that choosing appropriate class pruning ratios, coupled with random pruning within classes has potential to improve worst-class performance. We thus propose DRoP, a distributionally robust approach to pruning and empirically demonstrate its performance on standard computer vision benchmarks. In sharp contrast to existing algorithms, our proposed method continues improving distributional robustness at a tolerable drop of average performance as we prune more from the datasets.

Deep Learning · Large Language Models

Fan Wang, Juyong Jiang, Chansung Park, Sunghun Kim, Jing Tang

The increasing sizes of large language models (LLMs) result in significant computational overhead and memory usage when adapting these models to specific tasks or domains. Various parameter-efficient fine-tuning (PEFT) methods have been devised to mitigate these challenges by training a small set of parameters for the task-specific updates of the model weights. Among PEFT methods, LoRA stands out for its simplicity and efficiency, inspiring the development of a series of variants. However, LoRA and its successors disregard the knowledge that is noisy or irrelevant to the targeted task, detrimentally impacting model performance and leading to suboptimality. To address this limitation, we introduce Knowledge-aware Singular-value Adaptation (KaSA), a PEFT method that leverages singular value decomposition (SVD) with knowledge-aware singular values to dynamically activate knowledge based on its relevance to the task at hand. We conduct extensive experiments across a range of LLMs on tasks spanning natural language understanding (NLU), generation (NLG), instruction following, and commonsense reasoning. The experimental results demonstrate that KaSA consistently outperforms FFT and 14 popular PEFT baselines across 16 benchmarks and 4 synthetic datasets, underscoring our method's efficacy and adaptability. The source code of our method is available at https://github.com/juyongjiang/KaSA.