mtybilly/Instruct2DS huggingface dataset:
Improving Environment Novelty Quantification for Effective Unsupervised Environment Design
Authors: Wenjun Li, Pradeep Varakantham Jayden Teoh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Unsupervised Environment Design (UED) formalizes the problem of autocurricula through interactive training between a teacher agent and a student agent. The teacher generates new training environments with high learning potential, curating an adaptive curriculum that strengthens the student's ability to handle unseen scenarios. Existing UED methods mainly rely on regret, a metric that measures the difference between the agent's optimal and actual performance, to guide curriculum design. Regret-driven methods generate curricula that progressively increase environment complexity for the student but overlook environment novelty — a critical element for enhancing an agent's generalizability. Measuring environment novelty is especially challenging due to the underspecified nature of environment parameters in UED, and existing approaches face significant limitations. To address this, this paper introduces the Coverage-based Evaluation of Novelty In Environment (CENIE) framework. CENIE proposes a scalable, domain-agnostic, and curriculum-aware approach to quantifying environment novelty by leveraging the student's state-action space coverage from previous curriculum experiences. We then propose an implementation of CENIE that models this coverage and measures environment novelty using Gaussian Mixture Models. By integrating both regret and novelty as complementary objectives for curriculum design, CENIE facilitates effective exploration across the state-action space while progressively increasing curriculum complexity. Empirical evaluations demonstrate that augmenting existing regret-based UED algorithms with CENIE achieves state-of-the-art performance across multiple benchmarks, underscoring the effectiveness of novelty-driven autocurricula for robust generalization.
The Bayesian sampling in a canonical recurrent circuit with a diversity of inhibitory interneurons
Authors: Wen-Hao Zhang Eryn Sale
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Accumulating evidence suggests stochastic cortical circuits can perform sampling-based Bayesian inference to compute the latent stimulus posterior. Canonical cortical circuits consist of excitatory (E) neurons and types of inhibitory (I) interneurons. Nevertheless, nearly no sampling neural circuit models consider the diversity of interneurons, and thus how interneurons contribute to sampling remains poorly understood. To provide theoretical insight, we build a nonlinear canonical circuit model consisting of recurrently connected E neurons and two types of I neurons including Parvalbumin (PV) and Somatostatin (SOM) neurons. The E neurons are modeled as a canonical ring (attractor) model, receiving global inhibition from PV neurons, and locally tuning-dependent inhibition from SOM neurons.We theoretically analyze the nonlinear circuit dynamics and analytically identify the Bayesian sampling algorithm performed by the circuit dynamics. We found a reduced circuit with only E and PV neurons performs Langevin sampling, and the inclusion of SOM neurons with tuning-dependent inhibition speeds up the sampling via upgrading the Langevin into Hamiltonian sampling. Moreover, the Hamiltonian framework requires SOM neurons to receive no direct feedforward connections, consistent with neuroanatomy. Our work provides overarching connections between nonlinear circuits with various types of interneurons and sampling algorithms, deepening our understanding of circuit implementation of Bayesian inference.
Evaluate then Cooperate: Shapley-based View Cooperation Enhancement for Multi-view Clustering
Authors: Jiaqi Jin, Jingtao Hu, Suyuan Liu, Xihong Yang, Siwei Wang, Xinwang Liu, En Zhu Fangdi Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The fundamental goal of deep multi-view clustering is to achieve preferable task performance through inter-view cooperation. Although numerous DMVC approaches have been proposed, the collaboration role of individual views have not been well investigated in existing literature. Moreover, how to further enhance view cooperation for better fusion still needs to be explored. In this paper, we firstly consider DMVC as an unsupervised cooperative game where each view can be regarded as a participant. Then, we introduce the Shapley value and propose a novel MVC framework termed Shapley-based Cooperation Enhancing Multi-view Clustering (SCE-MVC), which evaluates view cooperation with game theory. Specially,  we employ the optimal transport distance between fused cluster distributions and single view component as the utility function for computing shapley values. Afterwards, we apply shapley values to assess the contribution of each view and utilize these contributions to promote view cooperation. Comprehensive experimental results well support the effectiveness of our framework adopting to existing DMVC frameworks, demonstrating the importance and necessity of enhancing the cooperation among views.
PureGen: Universal Data Purification for Train-Time Poison Defense via Generative Model Dynamics
Authors: Jeffrey Jiang, Omead Pooladzandi, Alexander Branch, Gregory Pottie Sunay Bhat
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Train-time data poisoning attacks threaten machine learning models by introducing adversarial examples during training, leading to misclassification. Current defense methods often reduce generalization performance, are attack-specific, and impose significant training overhead. To address this, we introduce a set of universal data purification methods using a stochastic transform, $\Psi(x)$, realized via iterative Langevin dynamics of Energy-Based Models (EBMs), Denoising Diffusion Probabilistic Models (DDPMs), or both. These approaches purify poisoned data with minimal impact on classifier generalization. Our specially trained EBMs and DDPMs provide state-of-the-art defense against various attacks (including Narcissus, Bullseye Polytope, Gradient Matching) on CIFAR-10, Tiny-ImageNet, and CINIC-10, without needing attack or classifier-specific information. We discuss performance trade-offs and show that our methods remain highly effective even with poisoned or distributionally shifted generative model training data.
A Local Method for Satisfying Interventional Fairness with Partially Known Causal Graphs
Authors: Yue Liu, Zhi Geng, Kun Zhang Haoxuan Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Developing fair automated machine learning algorithms is critical in making safe and trustworthy decisions. Many causality-based fairness notions have been proposed to address the above issues by quantifying the causal connections between sensitive attributes and decisions, and when the true causal graph is fully known, certain algorithms that achieve interventional fairness have been proposed. However, when the true causal graph is unknown, it is still challenging to effectively and efficiently exploit partially directed acyclic graphs (PDAGs) to achieve interventional fairness. To exploit the PDAGs for achieving interventional fairness, previous methods have been built on variable selection or causal effect identification, but limited to reduced prediction accuracy or strong assumptions. In this paper, we propose a general min-max optimization framework that can achieve interventional fairness with promising prediction accuracy and can be extended to maximally oriented PDAGs (MPDAGs) with added background knowledge. Specifically, we first estimate all possible treatment effects of sensitive attributes on a given prediction model from all possible adjustment sets of sensitive attributes via an efficient local approach. Next, we propose to alternatively update the prediction model and possible estimated causal effects, where the prediction model is trained via a min-max loss to control the worst-case fairness violations. Extensive experiments on synthetic and real-world datasets verify the superiority of our methods. To benefit the research community, we have released our project at https://github.com/haoxuanli-pku/NeurIPS24-Interventional-Fairness-with-PDAGs.
Learning Generalized Linear Programming Value Functions
Authors: Joey Huchette, Christian Tjandraatmadja Tu Anh-Nguyen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We develop a theoretically-grounded learning method for the Generalized Linear Programming Value Function (GVF), which models the optimal value of a linear programming (LP) problem as its objective and constraint bounds vary. This function plays a fundamental role in algorithmic techniques for large-scale optimization, particularly in decomposition for two-stage mixed-integer linear programs (MILPs). This paper establishes a structural characterization of the GVF that enables it to be modeled as a particular neural network architecture, which we then use to learn the GVF in a way that benefits from three notable properties. First, our method produces a true under-approximation of the value function with respect to the constraint bounds. Second, the model is input-convex in the constraint bounds, which not only matches the structure of the GVF but also enables the trained model to be efficiently optimized over using LP. Finally, our learning method is unsupervised, meaning that training data generation does not require computing LP optimal values, which can be prohibitively expensive at large scales.  We numerically show that our method can approximate the GVF well, even when compared to supervised methods that collect training data by solving an LP for each data point. Furthermore, as an application of our framework, we develop a fast heuristic method for large-scale two-stage MILPs with continuous second-stage variables, via a compact reformulation that can be solved faster than the full model linear relaxation at large scales and orders of magnitude faster than the original model.
Unveil Benign Overfitting for Transformer in Vision: Training Dynamics, Convergence, and Generalization
Authors: Wei Huang, Miao Zhang, Taiji Suzuki, Liqiang Nie Jiarui Jiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transformers have demonstrated great power in the recent development of large foundational models. In particular, the Vision Transformer (ViT) has brought revolutionary changes to the field of vision, achieving significant accomplishments on the experimental side. However, their theoretical capabilities, particularly in terms of generalization when trained to overfit training data, are still not fully understood. To address this gap, this work delves deeply into the \textit{benign overfitting} perspective of transformers in vision. To this end, we study the optimization of a Transformer composed of a self-attention layer with softmax followed by a fully connected layer under gradient descent on a certain data distribution model. By developing techniques that address the challenges posed by softmax and the interdependent nature of multiple weights in transformer optimization, we successfully characterized the training dynamics and achieved generalization in post-training. Our results establish a sharp condition that can distinguish between the small test error phase and the large test error regime, based on the signal-to-noise ratio in the data model. The theoretical results are further verified by experimental simulation. To the best of our knowledge, this is the first work to characterize benign overfitting for Transformers.
CaptainCook4D: A Dataset for Understanding Errors in Procedural Activities
Authors: Shivvrat Arya, Bharath Challa, Likhitha Pallapothula, Akshay Vyas, Bhavya Gouripeddi, Qifan Zhang, Jikai Wang, Vasundhara Komaragiri, Eric Ragan, Nicholas Ruozzi, Yu Xiang, Vibhav Gogate Rohith Peddi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Following step-by-step procedures is an essential component of various activities carried out by individuals in their daily lives. These procedures serve as a guiding framework that helps to achieve goals efficiently, whether it is assembling furniture or preparing a recipe. However, the complexity and duration of procedural activities inherently increase the likelihood of making errors. Understanding such procedural activities from a sequence of frames is a challenging task that demands an accurate interpretation of visual information and the ability to reason about the structure of the activity. To this end, we collect a new egocentric 4D dataset, CaptainCook4D, comprising 384 recordings (94.5 hours) of people performing recipes in real kitchen environments. This dataset consists of two distinct types of activity: one in which participants adhere to the provided recipe instructions and another in which they deviate and induce errors. We provide 5.3K step annotations and 10K fine-grained action annotations and benchmark the dataset for the following tasks: error recognition, multistep localization and procedure learning.
AirSketch: Generative Motion to Sketch
Authors: Xuanming Cui, Yogesh S Rawat, Ser-Nam Lim Hui Xian Grace Lim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Illustration is a fundamental mode of human expression and communication. Certain types of motion that accompany speech can provide this illustrative mode of communication. While Augmented and Virtual Reality technologies (AR/VR) have introduced tools for producing drawings with hand motions (air drawing), they typically require costly hardware and additional digital markers, thereby limiting their accessibility and portability. Furthermore, air drawing demands considerable skill to achieve aesthetic results. To address these challenges, we introduce the concept of AirSketch, aimed at generating faithful and visually coherent sketches directly from hand motions, eliminating the need for complicated headsets or markers. We devise a simple augmentation-based self-supervised training procedure, enabling a controllable image diffusion model to learn to translate from highly noisy hand tracking images to clean, aesthetically pleasing sketches, while preserving the essential visual cues from the original tracking data. We present two air drawing datasets to study this problem. Our findings demonstrate that beyond producing photo-realistic images from precise spatial inputs, controllable image diffusion can effectively produce a refined, clear sketch from a noisy input. Our work serves as an initial step towards marker-less air drawing and reveals distinct applications of controllable diffusion models to AirSketch and AR/VR in general.
Weak Supervision Performance Evaluation via Partial Identification
Authors: Subha Maity, Mikhail Yurochkin, Moulinath Banerjee, Yuekai Sun Felipe Maia Polo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Programmatic Weak Supervision (PWS) enables supervised model training without direct access to ground truth labels, utilizing weak labels from heuristics, crowdsourcing, or pre-trained models. However, the absence of ground truth complicates model evaluation, as traditional metrics such as accuracy, precision, and recall cannot be directly calculated. In this work, we present a novel method to address this challenge by framing model evaluation as a partial identification problem and estimating performance bounds using Fréchet bounds. Our approach derives reliable bounds on key metrics without requiring labeled data, overcoming core limitations in current weak supervision evaluation techniques. Through scalable convex optimization, we obtain accurate and computationally efficient bounds for metrics including accuracy, precision, recall, and F1-score, even in high-dimensional settings. This framework offers a robust approach to assessing model quality without ground truth labels, enhancing the practicality of weakly supervised learning for real-world applications.
Avoiding Undesired Future with Minimal Cost in Non-Stationary Environments
Authors: Tian Qin, Tian-Zuo Wang, Zhi-Hua Zhou Wen-Bo Du
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Machine learning (ML) has achieved remarkable success in prediction tasks. In many real-world scenarios, rather than solely predicting an outcome using an ML model, the crucial concern is how to make decisions to prevent the occurrence of undesired outcomes, known as the avoiding undesired future (AUF) problem. To this end, a new framework called rehearsal learning has been proposed recently, which works effectively in stationary environments by leveraging the influence relations among variables. In real tasks, however, the environments are usually non-stationary, where the influence relations may be dynamic, leading to the failure of AUF by the existing method. In this paper, we introduce a novel sequential methodology that effectively updates the estimates of dynamic influence relations, which are crucial for rehearsal learning to prevent undesired outcomes in non-stationary environments. Meanwhile, we take the cost of decision actions into account and provide the formulation of AUF problem with minimal action cost under non-stationarity. We prove that in linear Gaussian cases, the problem can be transformed into the well-studied convex quadratically constrained quadratic program (QCQP). In this way, we establish the first polynomial-time rehearsal-based approach for addressing the AUF problem. Theoretical and experimental results validate the effectiveness and efficiency of our method under certain circumstances.
3DCoMPaT200: Language Grounded Large-Scale 3D Vision Dataset for Compositional Recognition
Authors: Xiang Li, Arpit Prajapati, Mohamed Elhoseiny Mahmoud Ahmed
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Understanding objects in 3D at the part level is essential for humans and robots to navigate and interact with the environment. Current datasets for part-level 3D object understanding encompass a limited range of categories. For instance, the ShapeNet-Part and PartNet datasets only include 16, and 24 object categories respectively. The 3DCoMPaT dataset, specifically designed for compositional understanding of parts and materials, contains only 42 object categories. To foster richer and fine-grained part-level 3D understanding, we introduce 3DCoMPaT200, a large-scale dataset tailored for compositional understanding of object parts and materials, with 200 object categories with approximately 5 times larger object vocabulary compared to 3DCoMPaT and almost 4 times larger part categories. Concretely, 3DCoMPaT200 significantly expands upon 3DCoMPaT, featuring 1,031 fine-grained part categories and 293 distinct material classes for compositional application to 3D object parts. Additionally, to address the complexities of compositional 3D modeling, we propose a novel task of Compositional Part Shape Retrieval using ULIP to provide a strong 3D foundational model for 3D Compositional Understanding. This method evaluates the model shape retrieval performance given one, three, or six parts described in text format. These results show that the model's performance improves with an increasing number of style compositions, highlighting the critical role of the compositional dataset. Such results underscore the dataset's effectiveness in enhancing models' capability to understand complex 3D shapes from a compositional perspective. Code and Data can be found here: https://github.com/3DCoMPaT200/3DCoMPaT200/
A Concept-Based Explainability Framework for Large Multimodal Models
Authors: Pegah Khayatan, Mustafa Shukor, Alasdair Newson, Matthieu Cord Jayneel Parekh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large multimodal models (LMMs) combine unimodal encoders and large language models (LLMs) to perform multimodal tasks. Despite recent advancements towards the interpretability of these models, understanding internal representations of LMMs remains largely a mystery. In this paper, we present a novel framework for the interpretation of LMMs. We propose a dictionary learning based approach, applied to the representation of tokens. The elements of the learned dictionary correspond to our proposed concepts. We show that these concepts are well semantically grounded in both vision and text. Thus we refer to these as ``multi-modal concepts''. We qualitatively and quantitatively evaluate the results of the learnt concepts. We show that the extracted multimodal concepts are useful to interpret representations of test samples. Finally, we evaluate the disentanglement between different concepts and the quality of grounding concepts visually and textually. Our implementation is publicly available: https://github.com/mshukor/xl-vlms.
Learning to Balance Altruism and Self-interest Based on Empathy in Mixed-Motive Games
Authors: Yizhe Huang, Song-Chun Zhu, Siyuan Qi, Xue Feng Fanqi Kong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Real-world multi-agent scenarios often involve mixed motives, demanding altruistic agents capable of self-protection against potential exploitation. However, existing approaches often struggle to achieve both objectives. In this paper, based on that empathic responses are modulated by learned social relationships between agents, we propose LASE (**L**earning to balance **A**ltruism and **S**elf-interest based on **E**mpathy), a distributed multi-agent reinforcement learning algorithm that fosters altruistic cooperation through gifting while avoiding exploitation by other agents in mixed-motive games. LASE allocates a portion of its rewards to co-players as gifts, with this allocation adapting dynamically based on the social relationship --- a metric evaluating the friendliness of co-players estimated by counterfactual reasoning. In particular, social relationship measures each co-player by comparing the estimated $Q$-function of current joint action to a counterfactual baseline which marginalizes the co-player's action, with its action distribution inferred by a perspective-taking module. Comprehensive experiments are performed in spatially and temporally extended mixed-motive games, demonstrating LASE's ability to promote group collaboration without compromising fairness and its capacity to adapt policies to various types of interactive co-players.
UniIF: Unified Molecule Inverse Folding
Authors: Jue Wang, Cheng Tan, Lirong Wu, Yufei Huang, Siyuan Li, Zhirui Ye, Stan Z. Li Zhangyang Gao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Molecule inverse folding has been a long-standing challenge in chemistry and biology, with the potential to revolutionize drug discovery and material science. Despite specified models have been proposed for different small- or macro-molecules, few have attempted to unify the learning process, resulting in redundant efforts. Complementary to recent advancements in molecular structure prediction, such as RoseTTAFold All-Atom and AlphaFold3, we propose the unified model UniIF for the inverse folding of all molecules.  We do such unification in two levels: 1) Data-Level: We propose a unified block graph data form for all molecules, including the local frame building and geometric feature initialization. 2) Model-Level: We introduce a geometric block attention network, comprising a geometric interaction, interactive attention and virtual long-term dependency modules, to capture the 3D interactions of all molecules. Through comprehensive evaluations across various tasks such as protein design, RNA design, and material design, we demonstrate that our proposed method surpasses state-of-the-art methods on all tasks. UniIF offers a versatile and effective solution for general molecule inverse folding.
Motif-oriented influence maximization for viral marketing in large-scale social networks
Authors: Weiji Cao, Hao Liao, Rui Mao Mingyang Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The influence maximization (IM) problem aims to identify a budgeted set of nodes with the highest potential to influence the largest number of users in a cascade model, a key challenge in viral marketing. Traditional \emph{IM} approaches consider each user/node independently as a potential target customer. However, in many scenarios, the target customers comprise motifs, where activating only one or a few users within a motif is insufficient for effective viral marketing, which, nevertheless, receives little attention. For instance, if a motif of three friends planning to dine together, targeting all three simultaneously is crucial for a restaurant advertisement to succeed.In this paper, we address the motif-oriented influence maximization problem under the linear threshold model. We prove that the motif-oriented IM problem is NP-hard and that the influence function is neither supermodular nor submodular, in contrast to the classical \emph{IM} setting.To simplify the problem, we establish the submodular upper and lower bounds for the influence function. By leveraging the submodular property, we propose a natural greedy strategy that simultaneously maximizes both bounds. Our algorithm has an approximation ratio of  $\tau\cdot (1-1/e-\varepsilon)$ and a near-linear time complexity of $O((k+l)(m+\eta)\log \eta/\varepsilon^2)$.Experimental results on diverse datasets confirm the effectiveness of our approach in motif maximization.
Towards Reliable Model Selection for Unsupervised Domain Adaptation: An Empirical Study and A Certified Baseline
Authors: Mi Luo, Jian Liang, Chuan-Sheng Foo Dapeng Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Selecting appropriate hyperparameters is crucial for unlocking the full potential of advanced unsupervised domain adaptation (UDA) methods in unlabeled target domains. Although this challenge remains under-explored, it has recently garnered increasing attention with the proposals of various model selection methods. Reliable model selection should maintain performance across diverse UDA methods and scenarios, especially avoiding highly risky worst-case selections—selecting the model or hyperparameter with the worst performance in the pool.\textit{Are existing model selection methods reliable and versatile enough for different UDA tasks?} In this paper, we provide a comprehensive empirical study involving 8 existing model selection approaches to answer this question. Our evaluation spans 12 UDA methods across 5 diverse UDA benchmarks and 5 popular UDA scenarios.Surprisingly, we find that none of these approaches can effectively avoid the worst-case selection. In contrast, a simple but overlooked ensemble-based selection approach, which we call EnsV, is both theoretically and empirically certified to avoid the worst-case selection, ensuring high reliability. Additionally, EnsV is versatile for various practical but challenging UDA scenarios, including validation of open-partial-set UDA and source-free UDA.Finally, we call for more attention to the reliability of model selection in UDA: avoiding the worst-case is as significant as achieving peak selection performance and should not be overlooked when developing new model selection methods.  Code is available at https://github.com/LHXXHB/EnsV.
DARG: Dynamic Evaluation of Large Language Models via Adaptive Reasoning Graph
Authors: Jiaao Chen, Diyi Yang Zhehao Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The current paradigm of evaluating Large Language Models (LLMs) through static benchmarks comes with significant limitations, such as vulnerability to data contamination and a lack of adaptability to the evolving capabilities of LLMs. Therefore, evaluation methods that can adapt and generate evaluation data with controlled complexity are urgently needed. In this work, we introduce Dynamic Evaluation of LLMs via Adaptive Reasoning Graph Evolvement (DARG) to dynamically extend current benchmarks with controlled complexity and diversity. Specifically, we first extract the reasoning graphs of data points in current benchmarks and then perturb the reasoning graphs to generate novel testing data. Such newly generated test samples can have different levels of complexity while maintaining linguistic diversity similar to the original benchmarks. We further use a code-augmented LLM to ensure the label correctness of newly generated data. We apply our DARG framework to diverse reasoning tasks in four domains with 15 state-of-the-art LLMs. Experimental results show that almost all LLMs experience a performance decrease with increased complexity and certain LLMs exhibit significant drops. Additionally, we find that LLMs exhibit more biases when being evaluated via the data generated by DARG with higher complexity levels. These observations provide useful insights into how to dynamically and adaptively evaluate LLMs.
Noether's Razor: Learning Conserved Quantities
Authors: Mark van der Wilk, Pim de Haan Tycho F. A. van der Ouderaa
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Symmetries have proven useful in machine learning models, improving generalisation and overall performance. At the same time, recent advancements in learning dynamical systems rely on modelling the underlying Hamiltonian to guarantee the conservation of energy.These approaches can be connected via a seminal result in mathematical physics: Noether's theorem, which states that symmetries in a dynamical system correspond to conserved quantities.This work uses Noether's theorem to parameterise symmetries as learnable conserved quantities. We then allow conserved quantities and associated symmetries to be learned directly from train data through approximate Bayesian model selection, jointly with the regular training procedure. As training objective, we derive a variational lower bound to the marginal likelihood. The objective automatically embodies an Occam's Razor effect that avoids collapse of conversation laws to the trivial constant, without the need to manually add and tune additional regularisers. We demonstrate a proof-of-principle on n-harmonic oscillators and n-body systems. We find that our method correctly identifies the correct conserved quantities and U(n) and SE(n) symmetry groups, improving overall performance and predictive accuracy on test data.
Recurrent neural network dynamical systems for biological vision
Authors: Aldo Battista, Puria Radmard, Xiao-Jing Wang Wayne W.M. Soo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In neuroscience, recurrent neural networks (RNNs) are modeled as continuous-time dynamical systems to more accurately reflect the dynamics inherent in biological circuits. However, convolutional neural networks (CNNs) remain the preferred architecture in vision neuroscience due to their ability to efficiently process visual information, which comes at the cost of the biological realism provided by RNNs. To address this, we introduce a hybrid architecture that integrates the continuous-time recurrent dynamics of RNNs with the spatial processing capabilities of CNNs. Our models preserve the dynamical characteristics typical of RNNs while having comparable performance with their conventional CNN counterparts on benchmarks like ImageNet. Compared to conventional CNNs, our models demonstrate increased robustness to noise due to noise-suppressing mechanisms inherent in recurrent dynamical systems. Analyzing our architecture as a dynamical system is computationally expensive, so we develop a toolkit consisting of iterative methods specifically tailored for convolutional structures. We also train multi-area RNNs using our architecture as the front-end to perform complex cognitive tasks previously impossible to learn or achievable only with oversimplified stimulus representations. In monkey neural recordings, our models capture time-dependent variations in neural activity in higher-order visual areas. Together, these contributions represent a comprehensive foundation to unify the advances of CNNs and dynamical RNNs in vision neuroscience.
Proximal Causal Inference With Text Data
Authors: Rohit Bhattacharya, Katherine A. Keith Jacob M. Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent text-based causal methods attempt to mitigate confounding bias by estimating proxies of confounding variables that are partially or imperfectly measured from unstructured text data. These approaches, however, assume analysts have supervised labels of the confounders given text for a subset of instances, a constraint that is sometimes infeasible due to data privacy or annotation costs. In this work, we address settings in which an important confounding variable is completely unobserved. We propose a new causal inference method that uses two instances of pre-treatment text data, infers two proxies using two zero-shot models on the separate instances, and applies these proxies in the proximal g-formula. We prove, under certain assumptions about the instances of text and accuracy of the zero-shot predictions, that our method of inferring text-based proxies satisfies identification conditions of the proximal g-formula while other seemingly reasonable proposals do not. To address untestable assumptions associated with our method and the proximal g-formula, we further propose an odds ratio falsification heuristic that flags when to proceed with downstream effect estimation using the inferred proxies. We evaluate our method in synthetic and semi-synthetic settings---the latter with real-world clinical notes from MIMIC-III and open large language models for zero-shot prediction---and find that our method produces estimates with low bias. We believe that this text-based design of proxies allows for the use of proximal causal inference in a wider range of scenarios, particularly those for which obtaining suitable proxies from structured data is difficult.
Quality-Improved and Property-Preserved Polarimetric Imaging via Complementarily Fusing
Authors: Yixing Liu, Chao Xu, Boxin Shi Chu Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Polarimetric imaging is a challenging problem in the field of polarization-based vision, since setting a short exposure time reduces the signal-to-noise ratio, making the degree of polarization (DoP) and the angle of polarization (AoP) severely degenerated, while if setting a relatively long exposure time, the DoP and AoP would tend to be over-smoothed due to the frequently-occurring motion blur. This work proposes a polarimetric imaging framework that can produce clean and clear polarized snapshots by complementarily fusing a degraded pair of noisy and blurry ones. By adopting a neural network-based three-phase fusing scheme with specially-designed modules tailored to each phase, our framework can not only improve the image quality but also preserve the polarization properties. Experimental results show that our framework achieves state-of-the-art performance.
Refusal in Language Models Is Mediated by a Single Direction
Authors: Oscar Obeso, Aaquib Syed, Daniel Paleka, Nina Panickssery, Wes Gurnee, Neel Nanda Andy Arditi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Conversational large language models are fine-tuned for both instruction-following and safety, resulting in models that obey benign requests but refuse harmful ones. While this refusal behavior is widespread across chat models, its underlying mechanisms remain poorly understood. In this work, we show that refusal is mediated by a one-dimensional subspace, across 13 popular open-source chat models up to 72B parameters in size. Specifically, for each model, we find a single direction such that erasing this direction from the model's residual stream activations prevents it from refusing harmful instructions, while adding this direction elicits refusal on even harmless instructions. Leveraging this insight, we propose a novel white-box jailbreak method that surgically disables a model's ability to refuse, with minimal effect on other capabilities. This interpretable rank-one weight edit results in an effective jailbreak technique that is simpler and more efficient than fine-tuning. Finally, we mechanistically analyze how adversarial suffixes suppress propagation of the refusal-mediating direction. Our findings underscore the brittleness of current safety fine-tuning methods. More broadly, our work showcases how an understanding of model internals can be leveraged to develop practical methods for controlling model behavior.
Fine-Tuning is Fine, if Calibrated
Authors: Arpita Chowdhury, Ping Zhang, Cheng-Hao Tu, Hong-You Chen, Vardaan Pahuja, Tanya Berger-Wolf, Song Gao, Charles Stewart, Yu Su, Wei-Lun Chao Zheda Mai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Fine-tuning is arguably the most straightforward way to tailor a pre-trained model (e.g., a foundation model) to downstream applications, but it also comes with the risk of losing valuable knowledge the model had learned in pre-training. For example, fine-tuning a pre-trained classifier capable of recognizing a large number of classes to master a subset of classes at hand is shown to drastically degrade the model's accuracy in the other classes it had previously learned. As such, it is hard to further use the fine-tuned model when it encounters classes beyond the fine-tuning data. In this paper, we systematically dissect the issue, aiming to answer the fundamental question, "What has been damaged in the fine-tuned model?" To our surprise, we find that the fine-tuned model neither forgets the relationship among the other classes nor degrades the features to recognize these classes. Instead, the fine-tuned model often produces more discriminative features for these other classes, even if they were missing during fine-tuning! What really hurts the accuracy is the discrepant logit scales between the fine-tuning classes and the other classes, implying that a simple post-processing calibration would bring back the pre-trained model's capability and at the same time unveil the feature improvement over all classes. We conduct an extensive empirical study to demonstrate the robustness of our findings and provide preliminary explanations underlying them, suggesting new directions for future theoretical analysis.
UniGAD: Unifying Multi-level Graph Anomaly Detection
Authors: Jianheng Tang, Chenyi Zi, H.Vicky Zhao, Yuan Yao, Jia Li Yiqing Lin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Graph Anomaly Detection (GAD) aims to identify uncommon, deviated, or suspicious objects within graph-structured data. Existing methods generally focus on a single graph object type (node, edge, graph, etc.) and often overlook the inherent connections among different object types of graph anomalies. For instance, a money laundering transaction might involve an abnormal account and the broader community it interacts with. To address this, we present UniGAD, the first unified framework for detecting anomalies at node, edge, and graph levels jointly. Specifically, we develop the Maximum Rayleigh Quotient Subgraph Sampler (MRQSampler) that unifies multi-level formats by transferring objects at each level into graph-level tasks on subgraphs. We theoretically prove that MRQSampler maximizes the accumulated spectral energy of subgraphs (i.e., the Rayleigh quotient) to preserve the most significant anomaly information. To further unify multi-level training, we introduce a novel GraphStitch Network to integrate information across different levels, adjust the amount of sharing required at each level, and harmonize conflicting training goals. Comprehensive experiments show that UniGAD outperforms both existing GAD methods specialized for a single task and graph prompt-based approaches for multiple tasks, while also providing robust zero-shot task transferability.
Exocentric-to-Egocentric Video Generation
Authors: Weijia Mao, Zhongcong Xu, Jussi Keppo, Mike Zheng Shou Jia-Wei Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce Exo2Ego-V, a novel exocentric-to-egocentric diffusion-based video generation method for daily-life skilled human activities where sparse 4-view exocentric viewpoints are configured 360° around the scene. This task is particularly challenging due to the significant variations between exocentric and egocentric viewpoints and high complexity of dynamic motions and real-world daily-life environments. To address these challenges, we first propose a new diffusion-based multi-view exocentric encoder to extract the dense multi-scale features from multi-view exocentric videos as the appearance conditions for egocentric video generation. Then, we design an exocentric-to-egocentric view translation prior to provide spatially aligned egocentric features as a concatenation guidance for the input of egocentric video diffusion model. Finally, we introduce the temporal attention layers into our egocentric video diffusion pipeline to improve the temporal consistency cross egocentric frames. Extensive experiments demonstrate that Exo2Ego-V significantly outperforms SOTA approaches on 5 categories from the Ego-Exo4D dataset with an average of 35% in terms of LPIPS. Our code and model will be made available on https://github.com/showlab/Exo2Ego-V.
IncomeSCM: From tabular data set to time-series simulator and causal estimation benchmark
Authors: Fredrik D. Johansson
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Evaluating observational estimators of causal effects demands information that is rarely available: unconfounded interventions and outcomes from the population of interest, created either by randomization or adjustment. As a result, it is customary to fall back on simulators when creating benchmark tasks. Simulators offer great control but are often too simplistic to make challenging tasks, either because they are hand-designed and lack the nuances of real-world data, or because they are fit to observational data without structural constraints. In this work, we propose a general, repeatable strategy for turning observational data into sequential structural causal models and challenging estimation tasks by following two simple principles: 1) fitting real-world data where possible, and 2) creating complexity by composing simple, hand-designed mechanisms. We implement these ideas in a highly configurable software package and apply it to the well-known Adult income data set to construct the IncomeSCM simulator. From this, we devise multiple estimation tasks and sample data sets to compare established estimators of causal effects. The tasks present a suitable challenge, with effect estimates varying greatly in quality between methods, despite similar performance in the modeling of factual outcomes, highlighting the need for dedicated causal estimators and model selection criteria.
X-Ray: A Sequential 3D Representation For Generation
Authors: Wenhang Ge, Yuyang Zhao, Gim Hee Lee Tao Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce X-Ray, a novel 3D sequential representation inspired by the penetrability of x-ray scans. X-Ray transforms a 3D object into a series of surface frames at different layers, making it suitable for generating 3D models from images. Our method utilizes ray casting from the camera center to capture geometric and textured details, including depth, normal, and color, across all intersected surfaces. This process efficiently condenses the whole 3D object into a multi-frame video format, motivating the utilize of a network architecture similar to those in video diffusion models. This design ensures an efficient 3D representation by focusing solely on surface information. Also, we propose a two-stage pipeline to generate 3D objects from X-Ray Diffusion Model and Upsampler. We demonstrate the practicality and adaptability of our X-Ray representation by synthesizing the complete visible and hidden surfaces of a 3D object from a single input image. Experimental results reveal the state-of-the-art superiority of our representation in enhancing the accuracy of 3D generation, paving the way for new 3D representation research and practical applications. Our project page is in \url{https://tau-yihouxiang.github.io/projects/X-Ray/X-Ray.html}.
KG-FIT: Knowledge Graph Fine-Tuning Upon Open-World Knowledge
Authors: Lang Cao, Cao Xiao, Parminder Bhatia, Jimeng Sun, Jiawei Han Pengcheng Jiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Knowledge Graph Embedding (KGE) techniques are crucial in learning compact representations of entities and relations within a knowledge graph, facilitating efficient reasoning and knowledge discovery. While existing methods typically focus either on training KGE models solely based on graph structure or fine-tuning pre-trained language models with classification data in KG, KG-FIT leverages LLM-guided refinement to construct a semantically coherent hierarchical structure of entity clusters. By incorporating this hierarchical knowledge along with textual information during the fine-tuning process, KG-FIT effectively captures both global semantics from the LLM and local semantics from the KG. Extensive experiments on the benchmark datasets FB15K-237, YAGO3-10, and PrimeKG demonstrate the superiority of KG-FIT over state-of-the-art pre-trained language model-based methods, achieving improvements of 14.4\%, 13.5\%, and 11.9\% in the Hits@10 metric for the link prediction task, respectively. Furthermore, KG-FIT yields substantial performance gains of 12.6\%, 6.7\%, and 17.7\% compared to the structure-based base models upon which it is built. These results highlight the effectiveness of KG-FIT in incorporating open-world knowledge from LLMs to significantly enhance the expressiveness and informativeness of KG embeddings.
Constructing Semantics-Aware Adversarial Examples with a Probabilistic Perspective
Authors: Mingtian Zhang, Damon Wischik Andi Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose a probabilistic perspective on adversarial examples, allowing us to embed subjective understanding of semantics as a distribution into the process of generating adversarial examples, in a principled manner. Despite significant pixel-level modifications compared to traditional adversarial attacks, our method preserves the overall semantics of the image, making the changes difficult for humans to detect. This extensive pixel-level modification enhances our method's ability to deceive classifiers designed to defend against adversarial attacks. Our empirical findings indicate that the proposed methods achieve higher success rates in circumventing adversarial defense mechanisms, while remaining difficult for human observers to detect.