mtybilly/Instruct2DS huggingface dataset:
Feature-Level Adversarial Attacks and Ranking Disruption for Visible-Infrared Person Re-identification
Authors: Xi Yang, Huanling liu, De Cheng, Nannan Wang, Xinbo Gao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Visible-infrared person re-identification (VIReID) is widely used in fields such as video surveillance and intelligent transportation, imposing higher demands on model security. In practice, the adversarial attacks based on VIReID aim to disrupt output ranking and quantify the security risks of models. Although numerous studies have been emerged on adversarial attacks and defenses in fields such as face recognition, person re-identification, and pedestrian detection, there is currently a lack of research on the security of VIReID systems. To this end, we propose to explore the vulnerabilities of VIReID systems and prevent potential serious losses due to insecurity. Compared to research on single-modality ReID, adversarial feature alignment and modality differences need to be particularly emphasized. Thus, we advocate for feature-level adversarial attacks to disrupt the output rankings of VIReID systems. To obtain adversarial features, we introduce \textit{Universal Adversarial Perturbations} (UAP) to simulate common disturbances in real-world environments. Additionally, we employ a \textit{Frequency-Spatial Attention Module} (FSAM), integrating frequency information extraction and spatial focusing mechanisms, and further emphasize important regional features from different domains on the shared features. This ensures that adversarial features maintain consistency within the feature space. Finally, we employ an \textit{Auxiliary Quadruple Adversarial Loss} to amplify the differences between modalities, thereby improving the distinction and recognition of features between visible and infrared images, which causes the system to output incorrect rankings. Extensive experiments on two VIReID benchmarks (i.e., SYSU-MM01, RegDB) and different systems validate the effectiveness of our method.
SpatialRGPT: Grounded Spatial Reasoning in Vision-Language Models
Authors: An-Chieh Cheng, Hongxu Yin, Yang Fu, Qiushan Guo, Ruihan Yang, Jan Kautz, Xiaolong Wang, Sifei Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Vision Language Models (VLMs) have demonstrated remarkable performance in 2D vision and language tasks. However, their ability to reason about spatial arrangements remains limited. In this work, we introduce Spatial Region GPT (SpatialRGPT) to enhance VLMs’ spatial perception and reasoning capabilities. SpatialRGPT advances VLMs’ spatial understanding through two key innovations: (i) a data curation pipeline that enables effective learning of regional representation from 3D scene graphs, and (ii) a flexible ``plugin'' module for integrating depth information into the visual encoder of existing VLMs. During inference, when provided with user-specified region proposals, SpatialRGPT can accurately perceive their relative directions and distances. Additionally, we propose SpatialRGBT-Bench, a benchmark with ground-truth 3D annotations encompassing indoor, outdoor, and simulated environments, for evaluating 3D spatial cognition in Vision-Language Models (VLMs). Our results demonstrate that SpatialRGPT significantly enhances performance in spatial reasoning tasks, both with and without local region prompts. The model also exhibits strong generalization capabilities, effectively reasoning about complex spatial relations and functioning as a region-aware dense reward annotator for robotic tasks. Code, dataset, and benchmark are released at https://www.anjiecheng.me/SpatialRGPT.
Language Model as Visual Explainer
Authors: Xingyi Yang, Xinchao Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we present Language Model as Visual Explainer (\texttt{LVX}), a systematic approach for interpreting the internal workings of vision models using a tree-structured linguistic explanation, without the need for model training. Central to our strategy is the collaboration between vision models and LLM to craft explanations. On one hand,  the LLM is harnessed to delineate hierarchical visual attributes, while concurrently,  a text-to-image API retrieves  images that are most aligned with these textual concepts. By mapping the collected texts and images  to the vision model's embedding space,  we construct a hierarchy-structured visual embedding tree. This tree is dynamically pruned and grown by querying the LLM using language templates, tailoring the explanation to the model.  Such a scheme allows us to seamlessly incorporate new attributes while eliminating undesired concepts based on the model's representations. When applied to testing samples, our method provides human-understandable explanations in the form of attribute-laden trees. Beyond explanation, we retrained the vision model by calibrating it on the generated concept hierarchy, allowing the model to incorporate the refined knowledge of visual attributes. To access the effectiveness of our approach, we introduce new benchmarks and conduct rigorous evaluations, demonstrating its plausibility, faithfulness, and stability.
Benchmarking Structural Inference Methods for Interacting Dynamical Systems with Synthetic Data
Authors: Aoran Wang, Tsz Pan Tong, Andrzej Mizera, Jun Pang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Understanding complex dynamical systems begins with identifying their topological structures, which expose the organization of the systems. This requires robust structural inference methods that can deduce structure from observed behavior. However, existing methods are often domain-specific and lack a standardized, objective comparison framework. We address this gap by benchmarking 13 structural inference methods from various disciplines on simulations representing two types of dynamics and 11 interaction graph models, supplemented by a biological experimental dataset to mirror real-world application. We evaluated the methods for accuracy, scalability, robustness, and sensitivity to graph properties. Our findings indicate that deep learning methods excel with multi-dimensional data, while classical statistics and information theory based approaches are notably accurate and robust. Additionally, performance correlates positively with the graph's average shortest path length. This benchmark should aid researchers in selecting suitable methods for their specific needs and stimulate further methodological innovation.
Practical Bayesian Algorithm Execution via Posterior Sampling
Authors: Chu Xin Cheng, Raul Astudillo, Thomas Desautels, Yisong Yue
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider Bayesian algorithm execution (BAX), a framework for efficiently selecting evaluation points of an expensive function to infer a property of interest encoded as the output of a base algorithm. Since the base algorithm typically requires more evaluations than are feasible, it cannot be directly applied. Instead, BAX methods sequentially select evaluation points using a probabilistic numerical approach. Current BAX methods use expected information gain to guide this selection. However, this approach is computationally intensive.  Observing that, in many tasks, the property of interest corresponds to a target set of points defined by the function, we introduce PS-BAX, a simple, effective, and scalable BAX method based on posterior sampling. PS-BAX is applicable to a wide range of problems, including many optimization variants and level set estimation. Experiments across diverse tasks demonstrate that PS-BAX performs competitively with existing baselines while being significantly faster, simpler to implement, and easily parallelizable, setting a strong baseline for future research.  Additionally, we establish conditions under which PS-BAX is asymptotically convergent, offering new insights into posterior sampling as an algorithm design paradigm.
Unveiling the Potential of Robustness in Selecting Conditional Average Treatment Effect Estimators
Authors: Yiyan Huang, Cheuk Hang Leung, Siyi Wang, Yijun Li, Qi Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The growing demand for personalized decision-making has led to a surge of interest in estimating the Conditional Average Treatment Effect (CATE). Various types of CATE estimators have been developed with advancements in machine learning and causal inference. However, selecting the desirable CATE estimator through a conventional model validation procedure remains impractical due to the absence of counterfactual outcomes in observational data. Existing approaches for CATE estimator selection, such as plug-in and pseudo-outcome metrics, face two challenges. First, they must determine the metric form and the underlying machine learning models for fitting nuisance parameters (e.g., outcome function, propensity function, and plug-in learner). Second, they lack a specific focus on selecting a robust CATE estimator. To address these challenges, this paper introduces a Distributionally Robust Metric (DRM) for CATE estimator selection. The proposed DRM is nuisance-free, eliminating the need to fit models for nuisance parameters, and it effectively prioritizes the selection of a distributionally robust CATE estimator. The experimental results validate the effectiveness of the DRM method in selecting CATE estimators that are robust to the distribution shift incurred by covariate shift and hidden confounders.
Intrinsic Robustness of Prophet Inequality to Strategic Reward Signaling
Authors: Wei Tang, Haifeng Xu, Ruimin Zhang, Derek Zhu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Prophet inequality concerns a basic optimal stopping problem and states that simple threshold stopping policies --- i.e., accepting the first reward larger than a certain threshold --- can achieve tight $\frac{1}{2}$-approximation to the optimal prophet value. Motivated by its economic applications, this paper studies the robustness of this approximation to natural strategic manipulations in which each random reward is associated with a self-interested player who may selectively reveal his realized reward to the searcher in order to maximize his probability of being selected. We say a threshold policy is $\alpha$(-strategically)-robust if it (a) achieves the  $\alpha$-approximation to the prophet value for strategic players; and (b) meanwhile remains a  $\frac{1}{2}$-approximation in the standard non-strategic setting.Starting with a characterization of each player's optimal information revealing strategy, we demonstrate the intrinsic robustness of prophet inequalities to strategic reward signaling through the following results:(1) for arbitrary reward distributions, there is a threshold policy that is $\frac{1-\frac{1}{e}}{2}$-robust, and this ratio is tight;(2) for i.i.d. reward distributions, there is a threshold policy that is $\frac{1}{2}$-robust, which is tight for the setting; and (3) for log-concave (but non-identical) reward distributions, the $\frac{1}{2}$-robustness can also be achieved under certain regularity assumptions.
Unrolled denoising networks provably learn to perform optimal Bayesian inference
Authors: Aayush Karan, Kulin Shah, Sitan Chen, Yonina C. Eldar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Much of Bayesian inference centers around the design of estimators for inverse problems which are optimal assuming the data comes from a known prior. But what do these optimality guarantees mean if the prior is unknown? In recent years, algorithm unrolling has emerged as deep learning's answer to this age-old question: design a neural network whose layers can in principle simulate iterations of inference algorithms and train on data generated by the unknown prior.  Despite its empirical success, however, it has remained unclear whether this method can provably recover the performance of its optimal, prior-aware counterparts.In this work, we prove the first rigorous learning guarantees for neural networks based on unrolling approximate message passing (AMP). For compressed sensing, we prove that when trained on data drawn from a product prior, the layers of the network approximately converge to the same denoisers used in Bayes AMP. We also provide extensive numerical experiments for compressed sensing and rank-one matrix estimation demonstrating the advantages of our unrolled architecture --- in addition to being able to obliviously adapt to general priors, it exhibits improvements over Bayes AMP in more general settings of low dimensions, non-Gaussian designs, and non-product priors.
Improving Environment Novelty Quantification for Effective Unsupervised Environment Design
Authors: Jayden Teoh, Wenjun Li, Pradeep Varakantham
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: Eryn Sale, Wen-Hao Zhang
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: Fangdi Wang, Jiaqi Jin, Jingtao Hu, Suyuan Liu, Xihong Yang, Siwei Wang, Xinwang Liu, En Zhu
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: Sunay Bhat, Jeffrey Jiang, Omead Pooladzandi, Alexander Branch, Gregory Pottie
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: Haoxuan Li, Yue Liu, Zhi Geng, Kun Zhang
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: Tu Anh-Nguyen, Joey Huchette, Christian Tjandraatmadja
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: Jiarui Jiang, Wei Huang, Miao Zhang, Taiji Suzuki, Liqiang Nie
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: Rohith Peddi, Shivvrat Arya, Bharath Challa, Likhitha Pallapothula, Akshay Vyas, Bhavya Gouripeddi, Qifan Zhang, Jikai Wang, Vasundhara Komaragiri, Eric Ragan, Nicholas Ruozzi, Yu Xiang, Vibhav Gogate
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: Hui Xian Grace Lim, Xuanming Cui, Yogesh S Rawat, Ser-Nam 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: Felipe Maia Polo, Subha Maity, Mikhail Yurochkin, Moulinath Banerjee, Yuekai Sun
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: Wen-Bo Du, Tian Qin, Tian-Zuo Wang, Zhi-Hua Zhou
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: Mahmoud Ahmed, Xiang Li, Arpit Prajapati, Mohamed Elhoseiny
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: Jayneel Parekh, Pegah Khayatan, Mustafa Shukor, Alasdair Newson, Matthieu Cord
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: Fanqi Kong, Yizhe Huang, Song-Chun Zhu, Siyuan Qi, Xue Feng
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: Zhangyang Gao, Jue Wang, Cheng Tan, Lirong Wu, Yufei Huang, Siyuan Li, Zhirui Ye, Stan Z. Li
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: Mingyang Zhou, Weiji Cao, Hao Liao, Rui Mao
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: Dapeng Hu, Mi Luo, Jian Liang, Chuan-Sheng Foo
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: Zhehao Zhang, Jiaao Chen, Diyi Yang
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: Tycho F. A. van der Ouderaa, Mark van der Wilk, Pim de Haan
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: Wayne W.M. Soo, Aldo Battista, Puria Radmard, Xiao-Jing Wang
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: Jacob M. Chen, Rohit Bhattacharya, Katherine A. Keith
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.