mtybilly/Instruct2DS huggingface dataset:
Generative Adversarial Model-Based Optimization via Source Critic Regularization
Authors: Yimeng Zeng, Hamsa Bastani, Jacob Gardner, James C. Gee, Osbert Bastani Michael S. Yao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Offline model-based optimization seeks to optimize against a learned surrogate model without querying the true oracle objective function during optimization. Such tasks are commonly encountered in protein design, robotics, and clinical medicine where evaluating the oracle function is prohibitively expensive. However, inaccurate surrogate model predictions are frequently encountered along offline optimization trajectories. To address this limitation, we propose generative adversarial model-based optimization using adaptive source critic regularization (aSCR)—a task- and optimizer- agnostic framework for constraining the optimization trajectory to regions of the design space where the surrogate function is reliable. We propose a computationally tractable algorithm to dynamically adjust the strength of this constraint, and show how leveraging aSCR with standard Bayesian optimization outperforms existing methods on a suite of offline generative design tasks. Our code is available at https://github.com/michael-s-yao/gabo.
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
Authors: Minkai Xu, Alexander Powers, Weili Nie, Tomas Geffner, Karsten Kreis, Jure Leskovec, Arash Vahdat, Stefano Ermon Siyi Gu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion models, have shown great promise in modeling protein-ligand interactions and generating candidate drugs. However, existing models primarily focus on learning the chemical distribution of all drug candidates, which lacks effective steerability on the chemical quality of model generations. In this paper, we propose a novel and general alignment framework to align pretrained target diffusion models with preferred functional properties, named AliDiff. AliDiff shifts the target-conditioned chemical distribution towards regions with higher binding affinity and structural rationality, specified by user-defined reward functions, via the preference optimization approach. To avoid the overfitting problem in common preference optimization objectives, we further develop an improved Exact Energy Preference Optimization method to yield an exact and efficient alignment of the diffusion models, and provide the closed-form expression for the converged distribution. Empirical studies on the CrossDocked2020 benchmark show that AliDiff can generate molecules with state-of-the-art binding energies with up to -7.07 Avg. Vina Score, while maintaining strong molecular properties. Code is available at https://github.com/MinkaiXu/AliDiff.
OTTER: Effortless Label Distribution Adaptation of Zero-shot Models
Authors: Jitian Zhao, Sonia Cromp, Harit Vishwakarma, Frederic Sala Changho Shin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Popular zero-shot models suffer due to artifacts inherited from pretraining. One particularly detrimental issue, caused by unbalanced web-scale pretraining data, is mismatched label distribution. Existing approaches that seek to repair the label distribution are not suitable in zero-shot settings, as they have mismatching  requirements, such as needing access to labeled downstream task data or knowledge of the true label balance in the pretraining distribution. We sidestep these challenges and introduce a simple and lightweight approach to adjust pretrained model predictions via optimal transport. Our technique requires only an estimate of the label distribution of a downstream task.  Theoretically, we characterize the improvement produced by our procedure under certain mild conditions and provide bounds on the error caused by misspecification. Empirically, we validate our method in a wide array of zero-shot image and text classification tasks, improving accuracy by 4.8% and 15.9% on average, and beating baselines like prior matching---often by significant margins---in 17 out of 21 datasets.
A Closer Look at AUROC and AUPRC under Class Imbalance
Authors: Haoran Zhang, Lasse Hyldig Hansen, Giovanni Angelotti, Jack Gallifant Matthew B. McDermott
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In machine learning (ML), a widespread claim is that the area under the precision-recall curve (AUPRC) is a superior metric for model comparison to the area under the receiver operating characteristic (AUROC) for tasks with class imbalance. This paper refutes this notion on two fronts. First, we theoretically characterize the behavior of AUROC and AUPRC in the presence of model mistakes, establishing clearly that AUPRC is not generally superior in cases of class imbalance. We further show that AUPRC can be a harmful metric as it can unduly favor model improvements in subpopulations with more frequent positive labels, heightening algorithmic disparities. Next, we empirically support our theory using experiments on both semi-synthetic and real-world fairness datasets. Prompted by these insights, we conduct a review of over 1.5 million scientific papers to understand the origin of this invalid claim, finding that it is often made without citation, misattributed to papers that do not argue this point, and aggressively over-generalized from source arguments. Our findings represent a dual contribution: a significant technical advancement in understanding the relationship between AUROC and AUPRC and a stark warning about unchecked assumptions in the ML community.
SCRREAM : SCan, Register, REnder And Map: A Framework for Annotating Accurate and Dense 3D Indoor Scenes with a Benchmark
Authors: Weihang Li, Shun-Cheng Wu, William Bittner, Nikolas Brasch, Jifei Song, Eduardo Pérez-Pellitero, Zhensong Zhang, Arthur Moreau, Nassir Navab, Benjamin Busam HyunJun Jung
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Traditionally, 3d indoor datasets have generally prioritized scale over ground-truth accuracy in order to obtain improved generalization. However, using these datasets to evaluate dense geometry tasks, such as depth rendering, can be problematic as the meshes of the dataset are often incomplete and may produce wrong ground truth to evaluate the details. In this paper, we propose SCRREAM, a dataset annotation framework that allows annotation of fully dense meshes of objects in the scene and registers camera poses on the real image sequence, which can produce accurate ground truth for both sparse 3D as well as dense 3D tasks. We show the details of the dataset annotation pipeline and showcase four possible variants of datasets that can be obtained from our framework with example scenes, such as indoor reconstruction and SLAM, scene editing \& object removal, human reconstruction and 6d pose estimation. Recent pipelines for indoor reconstruction and SLAM serve as new benchmarks. In contrast to previous indoor dataset, our design allows to evaluate dense geometry tasks on eleven sample scenes against accurately rendered ground truth depth maps.
The GAN is dead; long live the GAN! A Modern GAN Baseline
Authors: Aaron Gokaslan, Volodymyr Kuleshov, James Tompkin Yiwen Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: There is a widely-spread claim that GANs are difficult to train, and GAN architectures in the literature are littered with empirical tricks. We provide evidence against this claim and build a modern GAN baseline in a more principled manner. First, we derive a well-behaved regularized relativistic GAN loss that addresses issues of mode dropping and non-convergence that were previously tackled via a bag of ad-hoc tricks. We analyze our loss mathematically and prove that it admits local convergence guarantees, unlike most existing relativistic losses. Second, this loss allows us to discard all ad-hoc tricks and replace outdated backbones used in common GANs with modern architectures. Using StyleGAN2 as an example, we present a roadmap of simplification and modernization that results in a new minimalist baseline---R3GAN. Despite being simple, our approach surpasses StyleGAN2 on FFHQ, ImageNet, CIFAR, and Stacked MNIST datasets, and compares favorably against state-of-the-art GANs and diffusion models. Code: https://www.github.com/brownvc/R3GAN
Amortized Active Causal Induction with Deep Reinforcement Learning
Authors: Panagiotis Tigas, Stefan Bauer, Adam Foster Yashas Annadani
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present Causal Amortized Active Structure Learning (CAASL), an active intervention design policy that can select interventions that are adaptive, real-time and that does not require access to the likelihood. This policy, an amortized network based on the transformer, is trained with reinforcement learning on a simulator of the design environment, and a reward function that measures how close the true causal graph is to a causal graph posterior inferred from the gathered data. On synthetic data and a single-cell gene expression simulator, we demonstrate empirically that the data acquired through our policy results in a better estimate of the underlying causal graph than alternative strategies.  Our design policy successfully achieves amortized intervention design on the distribution of the training environment while also generalizing well to distribution shifts in test-time design environments. Further, our policy also demonstrates excellent zero-shot generalization to design environments with dimensionality higher than that during training, and to intervention types that it has not been trained on.
Long-range Meta-path Search on Large-scale Heterogeneous Graphs
Authors: Zijie Guo, Qiuting He, Kun He Chao Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Utilizing long-range dependency, a concept extensively studied in homogeneous graphs, remains underexplored in heterogeneous graphs, especially on large ones, posing two significant challenges: Reducing computational costs while maximizing effective information utilization in the presence of heterogeneity, and overcoming the over-smoothing issue in graph neural networks. To address this gap, we investigate the importance of different meta-paths and introduce an automatic framework for utilizing long-range dependency on heterogeneous graphs, denoted as Long-range Meta-path Search through Progressive Sampling (LMSPS). Specifically, we develop a search space with all meta-paths related to the target node type. By employing a progressive sampling algorithm, LMSPS dynamically shrinks the search space with hop-independent time complexity. Through a sampling evaluation strategy, LMSPS conducts a specialized and effective meta-path selection, leading to retraining with only effective meta-paths, thus mitigating costs and over-smoothing. Extensive experiments across diverse heterogeneous datasets validate LMSPS's capability in discovering effective long-range meta-paths, surpassing state-of-the-art methods. Our code is available at https://github.com/JHL-HUST/LMSPS.
A Single-Step, Sharpness-Aware Minimization is All You Need to Achieve Efficient and Accurate Sparse Training
Authors: Gen Li, Jingjing Fu, Fatemeh Afghah, Linke Guo, Xiaoyong Yuan, Xiaolong Ma Jie Ji
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Sparse training stands as a landmark approach in addressing the considerable training resource demands imposed by the continuously expanding size of Deep Neural Networks (DNNs). However, the training of a sparse DNN encounters great challenges in achieving optimal generalization ability despite the efforts from the state-of-the-art sparse training methodologies. To unravel the mysterious reason behind the difficulty of sparse training, we connect the network sparsity with neural loss functions structure, and identify the cause of such difficulty lies in chaotic loss surface. In light of such revelation, we propose $S^{2} - SAM$, characterized by a **S**ingle-step **S**harpness_**A**ware **M**inimization that is tailored for **S**parse training. For the first time, $S^{2} - SAM$ innovates the traditional SAM-style optimization by approximating sharpness perturbation through prior gradient information, incurring *zero extra cost*. Therefore,  $S^{2} - SAM$ not only exhibits the capacity to improve generalization but also aligns with the efficiency goal of sparse training. Additionally, we study the generalization result of $S^{2} - SAM$ and provide theoretical proof for convergence. Through extensive experiments, $S^{2} - SAM$ demonstrates its universally applicable plug-and-play functionality, enhancing accuracy across various sparse training methods. Code available at https://github.com/jjsrf/SSAM-NEURIPS2024.
Generalized Eigenvalue Problems with Generative Priors
Authors: Wen Li, Junren Chen Zhaoqiang Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Generalized eigenvalue problems (GEPs) find applications in various fields of science and engineering. For example, principal component analysis, Fisher's discriminant analysis, and canonical correlation analysis are specific instances of GEPs and are widely used in statistical data processing. In this work, we study GEPs under generative priors, assuming that the underlying leading generalized eigenvector lies within the range of a Lipschitz continuous generative model. Under appropriate conditions, we show that any optimal solution to the corresponding optimization problems attains the optimal statistical rate. Moreover, from a computational perspective, we propose an iterative algorithm called the Projected Rayleigh Flow Method (PRFM) to approximate the optimal solution. We theoretically demonstrate that under suitable assumptions, PRFM converges linearly to an estimated vector that achieves the optimal statistical rate. Numerical results are provided to demonstrate the effectiveness of the proposed method.
Easy2Hard-Bench: Standardized Difficulty Labels for Profiling LLM Performance and Generalization
Authors: Chenghao Deng, Jocelyn Choo, Zichu Wu, Aakriti Agrawal, Avi Schwarzschild, Tianyi Zhou, Tom Goldstein, John Langford, Anima Anandkumar, Furong Huang Mucong Ding
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Despite the abundance of datasets available for assessing large language models (LLMs), the scarcity of continuous and reliable difficulty labels for individual data points, in most cases, curtails their capacity to benchmark model generalization performance across different levels of complexity. Addressing this limitation, we present Easy2Hard, an innovative collection of 6 benchmark datasets featuring standardized difficulty labels spanning a wide range of domains, such as mathematics and programming problems, chess puzzles, and reasoning questions, providing a much-needed tool for those in demand of a dataset with varying degrees of difficulty for LLM assessment. We estimate the difficulty of individual problems by leveraging the performance data of many human subjects and LLMs on prominent leaderboards. Harnessing the rich human performance data, we employ widely recognized difficulty ranking systems, including the Item Response Theory (IRT) and Glicko-2 models, to uniformly assign difficulty scores to problems. The Easy2Hard datasets distinguish themselves from previous collections by incorporating a significantly higher proportion of challenging problems, presenting a novel and demanding test for state-of-the-art LLMs. Through extensive experiments conducted with six state-of-the-art LLMs on the Easy2Hard datasets, we offer valuable insights into their performance and generalization capabilities across varying degrees of difficulty, setting the stage for future research in LLM generalization.
MALT Powers Up Adversarial Attacks
Authors: Gilad Yehudai, Adi Shamir Odelia Melamed
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current adversarial attacks for multi-class classifiers choose potential adversarial target classes naively based on the classifier's confidence levels. We present a novel adversarial targeting method, \textit{MALT - Mesoscopic Almost Linearity Targeting}, based on local almost linearity assumptions. Our attack wins over the current state of the art AutoAttack on the standard benchmark datasets CIFAR-100 and Imagenet and for different robust models. In particular, our attack uses a \emph{five times faster} attack strategy than AutoAttack's while successfully matching AutoAttack's successes and attacking additional samples that were previously out of reach. We additionally prove formally and demonstrate empirically that our targeting method, although inspired by linear predictors, also applies to non-linear models.
Multi-Object Hallucination in Vision Language Models
Authors: Ziqiao Ma, Xuejun Zhang, Sihan Xu, Jianing Yang, David F. Fouhey, Joyce Chai, Shengyi Qian Xuweiyi Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large vision language models (LVLMs) often suffer from object hallucination, producing objects not present in the given images. While current benchmarks for object hallucination primarily concentrate on the presence of a single object class rather than individual entities, this work systematically investigates multi-object hallucination, examining how models misperceive (e.g., invent nonexistent objects or become distracted) when tasked with focusing on multiple objects simultaneously.We introduce Recognition-based Object Probing Evaluation (ROPE), an automated evaluation protocol that considers the distribution of object classes within a single image during testing and uses visual referring prompts to eliminate ambiguity. With comprehensive empirical studies and analysis of potential factors leading to multi-object hallucination, we found that (1) LVLMs suffer more hallucinations when focusing on multiple objects compared to a single object. (2) The tested object class distribution affects hallucination behaviors, indicating that LVLMs may follow shortcuts and spurious correlations.(3) Hallucinatory behaviors are influenced by data-specific factors, salience and frequency, and model intrinsic behaviors.We hope to enable LVLMs to recognize and reason about multiple objects that often occur in realistic visual scenes, provide insights, and quantify our progress towards mitigating the issues.
Diffusing Differentiable Representations
Authors: Marc Finzi, J. Zico Kolter Yash Savani
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce a novel, training-free method for sampling differentiable representations (diffreps) using pretrained diffusion models. Rather than merely mode-seeking, our method achieves sampling by "pulling back" the dynamics of the reverse-time process—from the image space to the diffrep parameter space—and updating the parameters according to this pulled-back process. We identify an implicit constraint on the samples induced by the diffrep and demonstrate that addressing this constraint significantly improves the consistency and detail of the generated objects. Our method yields diffreps with substantially improved quality and diversity for images, panoramas, and 3D NeRFs compared to existing techniques. Our approach is a general-purpose method for sampling diffreps, expanding the scope of problems that diffusion models can tackle.
Implicit Regularization of Sharpness-Aware Minimization for Scale-Invariant Problems
Authors: Liang Zhang, Niao He Bingcong Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Sharpness-aware minimization (SAM) improves generalization of various deep learning tasks. Motivated by popular architectures such as LoRA, we explore the implicit regularization of SAM for scale-invariant problems involving two groups of variables. Instead of focusing on commonly used sharpness, this work introduces a concept termed balancedness, defined as the difference between the squared norm of two variables. This allows us to depict richer global behaviors of SAM. In particular, our theoretical and empirical findings reveal that i) SAM promotes balancedness; and ii) the regularization on balancedness is data-responsive -- outliers have stronger impact. The latter coincides with empirical observations that SAM outperforms SGD in the presence of outliers. Leveraging the implicit regularization, we develop a resource-efficient SAM variant, balancedness-aware regularization (BAR), tailored for scale-invariant problems such as finetuning language models with LoRA. BAR saves 95% computational overhead of SAM, with enhanced test performance across various tasks on RoBERTa, GPT2, and OPT-1.3B.
Reimagining Mutual Information for Enhanced Defense against Data Leakage in Collaborative Inference
Authors: Jingwei Sun, Jinyuan Jia, Yiran Chen, Maria Gorlatova Lin Duan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Edge-cloud collaborative inference empowers resource-limited IoT devices to support deep learning applications without disclosing their raw data to the cloud server, thus protecting user's data. Nevertheless, prior research has shown that collaborative inference still results in the exposure of input and predictions from edge devices. To defend against such data leakage in collaborative inference, we introduce InfoScissors, a defense strategy designed to reduce the mutual information between a model's intermediate outcomes and the device's input and predictions. We evaluate our defense on several datasets in the context of diverse attacks. Besides the empirical comparison, we provide a theoretical analysis of the inadequacies of recent defense strategies that also utilize mutual information, particularly focusing on those based on the Variational Information Bottleneck (VIB) approach. We illustrate the superiority of our method and offer a theoretical analysis of it.
Simplifying Constraint Inference with Inverse Reinforcement Learning
Authors: Harley Wiltzer, Glen Berseth Adriana Hugessen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Learning safe policies has presented a longstanding challenge for the reinforcement learning (RL) community. Various formulations of safe RL have been proposed; However, fundamentally, tabula rasa RL must learn safety constraints through experience, which is problematic for real-world applications. Imitation learning is often preferred in real-world settings because the experts' safety preferences are embedded in the data the agent imitates. However, imitation learning is limited in its extensibility to new tasks, which can only be learned by providing the agent with expert trajectories. For safety-critical applications with sub-optimal or inexact expert data, it would be preferable to learn only the safety aspects of the policy through imitation, while still allowing for task learning with  RL. The field of inverse constrained RL, which seeks to infer constraints from expert data, is a promising step in this direction. However, prior work in this area has relied on complex tri-level optimizations in order to infer safe behavior (constraints). This challenging optimization landscape leads to sub-optimal performance on several benchmark tasks. In this work, we present a simplified version of constraint inference that performs as well or better than prior work across a collection of continuous-control benchmarks. Moreover, besides improving performance, this simplified framework is easier to implement, tune, and more readily lends itself to various extensions, such as offline constraint inference.
Constrained Human-AI Cooperation: An Inclusive Embodied Social Intelligence Challenge
Authors: Qiushi Lyu, Jiaming Shan, Zhenting Qi, Hongxin Zhang, Sunli Chen, Andi Peng, Tianmin Shu, Kwonjoon Lee, Behzad Dariush, Chuang Gan Weihua Du
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: We introduce Constrained Human-AI Cooperation (CHAIC), an inclusive embodied social intelligence challenge designed to test social perception and cooperation in embodied agents. In CHAIC, the goal is for an embodied agent equipped with egocentric observations to assist a human who may be operating under physical constraints—e.g., unable to reach high places or confined to a wheelchair—in performing common household or outdoor tasks as efficiently as possible. To achieve this, a successful helper must: (1) infer the human's intents and constraints by following the human and observing their behaviors (social perception), and (2) make a cooperative plan tailored to the human partner to solve the task as quickly as possible, working together as a team (cooperative planning). To benchmark this challenge, we create four new agents with real physical constraints and eight long-horizon tasks featuring both indoor and outdoor scenes with various constraints, emergency events, and potential risks. We benchmark planning- and learning-based baselines on the challenge and introduce a new method that leverages large language models and behavior modeling. Empirical evaluations demonstrate the effectiveness of our benchmark in enabling systematic assessment of key aspects of machine social intelligence. Our benchmark and code are publicly available at https://github.com/UMass-Foundation-Model/CHAIC.
Temporally Consistent Atmospheric Turbulence Mitigation with Neural Representations
Authors: Jingxi Chen, Brandon Y. Feng, Weiyun Jiang, Mingyang Xie, Kevin Zhang, Cornelia Fermuller, Yiannis Aloimonos, Ashok Veeraraghavan, Christopher A. Metzler Haoming Cai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Atmospheric turbulence, caused by random fluctuations in the atmosphere's refractive index, introduces complex spatio-temporal distortions in imagery captured at long range. Video Atmospheric Turbulence Mitigation (ATM) aims to restore videos affected by these distortions. However, existing video ATM methods, both supervised and self-supervised, struggle to maintain temporally consistent mitigation across frames, leading to visually incoherent results. This limitation arises from the stochastic nature of atmospheric turbulence, which varies across space and time. Inspired by the observation that atmospheric turbulence induces high-frequency temporal variations, we propose ConVRT, a novel framework for consistent video restoration through turbulence. ConVRT introduces a neural video representation that explicitly decouples spatial and temporal information into a spatial content field and a temporal deformation field, enabling targeted regularization of the network's temporal representation capability. By leveraging the low-pass filtering properties of the regularized temporal representations, ConVRT effectively mitigates turbulence-induced temporal frequency variations and promotes temporal consistency. Furthermore, our training framework seamlessly integrates supervised pre-training on synthetic turbulence data with self-supervised learning on real-world videos, significantly improving the temporally consistent mitigation of ATM methods on diverse real-world data. More information can be found on our project page: https://convrt-2024.github.io/
Parameter-free Clipped Gradient Descent Meets Polyak
Authors: Han Bao, Ryoma Sato, Kenta Niwa, Makoto Yamada Yuki Takezawa
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Gradient descent and its variants are de facto standard algorithms for training machine learning models. As gradient descent is sensitive to its hyperparameters, we need to tune the hyperparameters carefully using a grid search. However, the method is time-consuming, particularly when multiple hyperparameters exist. Therefore, recent studies have analyzed parameter-free methods that adjust the hyperparameters on the fly. However, the existing work is limited to investigations of parameter-free methods for the stepsize, and parameter-free methods for other hyperparameters have not been explored. For instance, although the gradient clipping threshold is a crucial hyperparameter in addition to the stepsize for preventing gradient explosion issues, none of the existing studies have investigated parameter-free methods for clipped gradient descent. Therefore, in this study, we investigate the parameter-free methods for clipped gradient descent. Specifically, we propose Inexact Polyak Stepsize, which converges to the optimal solution without any hyperparameters tuning, and its convergence rate is asymptotically independent of $L$ under $L$-smooth and $(L_0, L_1)$-smooth assumptions of the loss function, similar to that of clipped gradient descent with well-tuned hyperparameters. We numerically validated our convergence results using a synthetic function and demonstrated the effectiveness of our proposed methods using LSTM, Nano-GPT, and T5.
Acoustic Volume Rendering for Neural Impulse Response Fields
Authors: Chenhao Zheng, Zhiwei Zheng, Mingmin Zhao Zitong Lan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Realistic audio synthesis that captures accurate acoustic phenomena is essential for creating immersive experiences in virtual and augmented reality. Synthesizing the sound received at any position relies on the estimation of impulse response (IR), which characterizes how sound propagates in one scene along different paths before arriving at the listener position. In this paper, we present Acoustic Volume Rendering (AVR), a novel approach that adapts volume rendering techniques to model acoustic impulse responses. While volume rendering has been successful in modeling radiance fields for images and neural scene representations, IRs present unique challenges as time-series signals. To address these challenges, we introduce frequency-domain volume rendering and use spherical integration to fit the IR measurements. Our method constructs an impulse response field that inherently encodes wave propagation principles and achieves state of-the-art performance in synthesizing impulse responses for novel poses. Experiments show that AVR surpasses current leading methods by a substantial margin. Additionally, we develop an acoustic simulation platform, AcoustiX, which provides more accurate and realistic IR simulations than existing simulators. Code for AVR and AcoustiX are available at https://zitonglan.github.io/avr.
DOFEN: Deep Oblivious Forest ENsemble
Authors: Ping-Han Chiang, Hsin-Rung Chou, Chih-Sheng Chen, Darby Tien-Hao Chang Kuan-Yu Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep Neural Networks (DNNs) have revolutionized artificial intelligence, achieving impressive results on diverse data types, including images, videos, and texts. However, DNNs still lag behind Gradient Boosting Decision Trees (GBDT) on tabular data, a format extensively utilized across various domains. This paper introduces DOFEN, which stands for Deep Oblivious Forest ENsemble. DOFEN is a novel DNN architecture inspired by oblivious decision trees and achieves on-off sparse selection of columns. DOFEN surpasses other DNNs on tabular data, achieving state-of-the-art performance on the well-recognized benchmark: Tabular Benchmark, which includes 73 total datasets spanning a wide array of domains. The code of DOFEN is available at: https://github.com/Sinopac-Digital-Technology-Division/DOFEN
Symbolic Regression with a Learned Concept Library
Authors: Atharva Sehgal, Omar Costilla-Reyes, Miles Cranmer, Swarat Chaudhuri Arya Grayeli
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods by inducing a library of abstract textual concepts. Our algorithm, called LaSR, uses zero-shot queries to a large language model (LLM) to discover and evolve concepts occurring in known high-performing hypotheses. We discover new hypotheses using a mix of standard evolutionary steps and LLM-guided steps (obtained through zero-shot LLM queries) conditioned on discovered concepts. Once discovered,  hypotheses are used in a new round of concept abstraction and evolution. We validate LaSR on the Feynman equations, a popular SR benchmark, as well as a set of synthetic tasks. On these benchmarks, LaSR substantially outperforms a variety of state-of-the-art SR approaches based on deep learning and evolutionary algorithms. Moreover, we show that LASR can be used to discover a new and powerful scaling law for LLMs.
Learning to Embed Distributions via Maximum Kernel Entropy
Authors: Stefano Recanatesi Oleksii Kachaiev
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Empirical data can often be considered as samples from a set of probability distributions. Kernel methods have emerged as a natural approach for learning to classify these distributions. Although numerous kernels between distributions have been proposed, applying kernel methods to distribution regression tasks remains challenging, primarily because selecting a suitable kernel is not straightforward. Surprisingly, the question of learning a data-dependent distribution kernel has received little attention. In this paper, we propose a novel objective for the unsupervised learning of data-dependent distribution kernel, based on the principle of entropy maximization in the space of probability measure embeddings. We examine the theoretical properties of the latent embedding space induced by our objective, demonstrating that its geometric structure is well-suited for solving downstream discriminative tasks. Finally, we demonstrate the performance of the learned kernel across different modalities.
Aligning Individual and Collective Objectives in Multi-Agent Cooperation
Authors: Wenhao Zhang, Jianhong Wang, Shao Zhang, Yali Du, Ying Wen, Wei Pan Yang Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Among the research topics in multi-agent learning, mixed-motive cooperation is one of the most prominent challenges, primarily due to the mismatch between individual and collective goals. The cutting-edge research is focused on incorporating domain knowledge into rewards and introducing additional mechanisms to incentivize cooperation. However, these approaches often face shortcomings such as the effort on manual design and the absence of theoretical groundings. To close this gap, we model the mixed-motive game as a differentiable game for the ease of illuminating the learning dynamics towards cooperation. More detailed, we introduce a novel optimization method named \textbf{\textit{A}}ltruistic \textbf{\textit{G}}radient \textbf{\textit{A}}djustment (\textbf{\textit{AgA}}) that employs gradient adjustments to progressively align individual and collective objectives. Furthermore, we theoretically prove that AgA effectively attracts gradients to stable fixed points of the collective objective while considering individual interests, and we validate these claims with empirical evidence. We evaluate the effectiveness of our algorithm AgA through benchmark environments for testing mixed-motive collaboration with small-scale agents such as the two-player public good game and the sequential social dilemma games, Cleanup and Harvest, as well as our self-developed large-scale environment in the game StarCraft II.
Is Programming by Example Solved by LLMs?
Authors: Kevin Ellis Wen-Ding Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples.Such systems are practically and theoretically important:from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference.Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have "solved" PBE.We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data.We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution.We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization.Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.
Referring Human Pose and Mask Estimation In the Wild
Authors: Mingtao Feng, Zijie Wu, Mohammed Bennamoun, Yongsheng Gao, Ajmal Mian Bo Miao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce Referring Human Pose and Mask Estimation (R-HPM) in the wild, where either a text or positional prompt specifies the person of interest in an image. This new task holds significant potential for human-centric applications such as assistive robotics and sports analysis. In contrast to previous works, R-HPM (i) ensures high-quality, identity-aware results corresponding to the referred person, and (ii) simultaneously predicts human pose and mask for a comprehensive representation. To achieve this, we introduce a large-scale dataset named RefHuman, which substantially extends the MS COCO dataset with additional text and positional prompt annotations. RefHuman includes over 50,000 annotated instances in the wild, each equipped with keypoint, mask, and prompt annotations. To enable prompt-conditioned estimation, we propose the first end-to-end promptable approach named UniPHD for R-HPM. UniPHD extracts multimodal representations and employs a proposed pose-centric hierarchical decoder to process (text or positional) instance queries and keypoint queries, producing results specific to the referred person. Extensive experiments demonstrate that UniPHD produces quality results based on user-friendly prompts and achieves top-tier performance on RefHuman val and MS COCO val2017.
Be Confident in What You Know: Bayesian Parameter Efficient Fine-Tuning of Vision Foundation Models
Authors: Spandan Pyakurel, Qi Yu Deep Shankar Pandey
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large transformer-based foundation models have been commonly used as pre-trained models that can be adapted to different challenging datasets and settings with state-of-the-art generalization performance. Parameter efficient fine-tuning ($\texttt{PEFT}$) provides promising generalization performance in adaptation while incurring minimum computational overhead. However, adaptation of these foundation models through $\texttt{PEFT}$ leads to accurate but severely underconfident models, especially in few-shot learning settings. Moreover, the adapted models lack accurate fine-grained uncertainty quantification capabilities limiting their broader applicability in critical domains. To fill out this critical gap, we develop a novel lightweight {Bayesian Parameter Efficient Fine-Tuning} (referred to as $\texttt{Bayesian-PEFT}$) framework for large transformer-based foundation models. The framework integrates state-of-the-art $\texttt{PEFT}$ techniques with two Bayesian components to address the under-confidence issue while ensuring reliable prediction under challenging few-shot settings. The first component performs base rate adjustment to strengthen the prior belief corresponding to the knowledge gained through pre-training, making the model more confident in its predictions; the second component builds an evidential ensemble that leverages belief regularization to ensure diversity among different ensemble components.Our thorough theoretical analysis justifies that the  Bayesian components can ensure reliable and accurate few-shot adaptations with well-calibrated uncertainty quantification. Extensive experiments across diverse datasets, few-shot learning scenarios, and multiple $\texttt{PEFT}$ techniques demonstrate the outstanding prediction and calibration performance by $\texttt{Bayesian-PEFT}$.
Meta-DT: Offline Meta-RL as Conditional Sequence Modeling with World Model Disentanglement
Authors: Li Zhang, Wenhao Wu, Yuanheng Zhu, Dongbin Zhao, Chunlin Chen Zhi Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A longstanding goal of artificial general intelligence is highly capable generalists that can learn from diverse experiences and generalize to unseen tasks. The language and vision communities have seen remarkable progress toward this trend by scaling up transformer-based models trained on massive datasets, while reinforcement learning (RL) agents still suffer from poor generalization capacity under such paradigms. To tackle this challenge, we propose Meta Decision Transformer (Meta-DT), which leverages the sequential modeling ability of the transformer architecture and robust task representation learning via world model disentanglement to achieve efficient generalization in offline meta-RL. We pretrain a context-aware world model to learn a compact task representation, and inject it as a contextual condition to the causal transformer to guide task-oriented sequence generation. Then, we subtly utilize history trajectories generated by the meta-policy as a self-guided prompt to exploit the architectural inductive bias. We select the trajectory segment that yields the largest prediction error on the pretrained world model to construct the prompt, aiming to encode task-specific information complementary to the world model maximally. Notably, the proposed framework eliminates the requirement of any expert demonstration or domain knowledge at test time. Experimental results on MuJoCo and Meta-World benchmarks across various dataset types show that Meta-DT exhibits superior few and zero-shot generalization capacity compared to strong baselines while being more practical with fewer prerequisites. Our code is available at https://github.com/NJU-RL/Meta-DT.
Poisson Variational Autoencoder
Authors: Dekel Galor, Jacob L. Yates Hadi Vafaii
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Variational autoencoders (VAE) employ Bayesian inference to interpret sensory inputs, mirroring processes that occur in primate vision across both ventral (Higgins et al., 2021) and dorsal (Vafaii et al., 2023) pathways. Despite their success, traditional VAEs rely on continuous latent variables, which significantly deviates from the discrete nature of biological neurons. Here, we developed the Poisson VAE (P-VAE), a novel architecture that combines principles of predictive coding with a VAE that encodes inputs into discrete spike counts. Combining Poisson-distributed latent variables with predictive coding introduces a metabolic cost term in the model loss function, suggesting a relationship with sparse coding which we verify empirically. Additionally, we analyze the geometry of learned representations, contrasting the P-VAE to alternative VAE models. We find that the P-VAE encodes its inputs in relatively higher dimensions, facilitating linear separability of categories in a downstream classification task with a much better (5x) sample efficiency. Our work provides an interpretable computational framework to study brain-like sensory processing and paves the way for a deeper understanding of perception as an inferential process.
R$^2$-Gaussian: Rectifying Radiative Gaussian Splatting for Tomographic Reconstruction
Authors: Tao Jun Lin, Yuanhao Cai, Jiwen Cao, Yanhao Zhang, Hongdong Li Ruyi Zha
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 3D Gaussian splatting (3DGS) has shown promising results in image rendering and surface reconstruction. However, its potential in volumetric reconstruction tasks, such as X-ray computed tomography, remains under-explored. This paper introduces R$^2$-Gaussian, the first 3DGS-based framework for sparse-view tomographic reconstruction. By carefully deriving X-ray rasterization functions, we discover a previously unknown \emph{integration bias} in the standard 3DGS formulation, which hampers accurate volume retrieval. To address this issue, we propose a novel rectification technique via refactoring the projection from 3D to 2D Gaussians. Our new method presents three key innovations: (1) introducing tailored Gaussian kernels, (2) extending rasterization to X-ray imaging, and (3) developing a CUDA-based differentiable voxelizer. Experiments on synthetic and real-world datasets demonstrate that our method outperforms state-of-the-art approaches in accuracy and efficiency. Crucially, it delivers high-quality results in 4 minutes, which is 12$\times$ faster than NeRF-based methods and on par with traditional algorithms.
Data-faithful Feature Attribution: Mitigating Unobservable Confounders via Instrumental Variables
Authors: Haocheng Xia, Jinfei Liu Qiheng Sun
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The state-of-the-art feature attribution methods often neglect the influence of unobservable confounders, posing a risk of misinterpretation, especially when it is crucial for the interpretation to remain faithful to the data. To counteract this, we propose a new approach, data-faithful feature attribution, which trains a confounder-free model using instrumental variables. The cluttered effects of unobservable confounders in a model trained as such are decoupled from input features, thereby aligning the output of the model with the contribution of input features to the target feature in the data generation. Furthermore, feature attribution results produced by our method are more robust when focusing on attributions from the perspective of data generation. Our experiments on both synthetic and real-world datasets demonstrate the effectiveness of our approaches.