mtybilly/Instruct2DS huggingface dataset:
Fragment-based Pretraining and Finetuning on Molecular Graphs
Authors: Ambuj K Singh Kha-Dinh Luong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Property prediction on molecular graphs is an important application of Graph Neural Networks (GNNs). Recently, unlabeled molecular data has become abundant, which facilitates the rapid development of self-supervised learning for GNNs in the chemical domain. In this work, we propose pretraining GNNs at the fragment level, a promising middle ground to overcome the limitations of node-level and graph-level pretraining. Borrowing techniques from recent work on principal subgraph mining, we obtain a compact vocabulary of prevalent fragments from a large pretraining dataset. From the extracted vocabulary, we introduce several fragment-based contrastive and predictive pretraining tasks. The contrastive learning task jointly pretrains two different GNNs: one on molecular graphs and the other on fragment graphs, which represents higher-order connectivity within molecules. By enforcing consistency between the fragment embedding and the aggregated embedding of the corresponding atoms from the molecular graphs, we ensure that the embeddings capture structural information at multiple resolutions. The structural information of fragment graphs is further exploited to extract auxiliary labels for graph-level predictive pretraining. We employ both the pretrained molecular-based and fragment-based GNNs for downstream prediction, thus utilizing the fragment information during finetuning. Our graph fragment-based pretraining (GraphFP) advances the performances on 5 out of 8 common molecular benchmarks and improves the performances on long-range biological benchmarks by at least 11.5%. Code is available at: https://github.com/lvkd84/GraphFP.
Characterizing Out-of-Distribution Error via Optimal Transport
Authors: Yilong Qin, Runtian Zhai, Andrew Shen, Ketong Chen, Zhenlin Wang, Soheil Kolouri, Simon Stepputtis, Joseph P. Campbell, Katia Sycara Yuzhe Lu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Out-of-distribution (OOD) data poses serious challenges in deployed machine learning models,so methods of predicting a model's performance on OOD data without labels are important for machine learning safety.While a number of methods have been proposed by prior work, they often underestimate the actual error, sometimes by a large margin, which greatly impacts their applicability to real tasks. In this work, we identify pseudo-label shift, or the difference between the predicted and true OOD label distributions, as a key indicator of this underestimation. Based on this observation, we introduce a novel method for estimating model performance by leveraging optimal transport theory, Confidence Optimal Transport (COT), and show that it provably provides more robust error estimates in the presence of pseudo-label shift. Additionally, we introduce an empirically-motivated variant of COT, Confidence Optimal Transport with Thresholding (COTT), which applies thresholding to the individual transport costs and further improves the accuracy of COT's error estimates. We evaluate COT and COTT on a variety of standard benchmarks that induce various types of distribution shift -- synthetic, novel subpopulation, and natural -- and show that our approaches significantly outperform existing state-of-the-art methods with up to 3x lower prediction errors.
Unsupervised Video Domain Adaptation for Action Recognition: A Disentanglement Perspective
Authors: Lingdong Kong, Xinghua Qu, Yi Ren, Zhiqiang Xu, Jing Jiang, Xiang Yin Pengfei Wei
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Unsupervised video domain adaptation is a practical yet challenging task. In this work, for the first time, we tackle it from a disentanglement view. Our key idea is to handle the spatial and temporal domain divergence separately through disentanglement. Specifically, we consider the generation of cross-domain videos from two sets of latent factors, one encoding the static information and another encoding the dynamic information. A Transfer Sequential VAE (TranSVAE) framework is then developed to model such generation. To better serve for adaptation, we propose several objectives to constrain the latent factors. With these constraints, the spatial divergence can be readily removed by disentangling the static domain-specific information out, and the temporal divergence is further reduced from both frame- and video-levels through adversarial learning. Extensive experiments on the UCF-HMDB, Jester, and Epic-Kitchens datasets verify the effectiveness and superiority of TranSVAE compared with several state-of-the-art approaches.
Does Localization Inform Editing? Surprising Differences in Causality-Based Localization vs. Knowledge Editing in Language Models
Authors: Mohit Bansal, Been Kim, Asma Ghandeharioun Peter Hase
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Language models learn a great quantity of factual information during pretraining, and recent work localizes this information to specific model weights like mid-layer MLP weights. In this paper, we find that we can change how a fact is stored in a model by editing weights that are in a different location than where existing methods suggest that the fact is stored. This is surprising because we would expect that localizing facts to specific model parameters would tell us where to manipulate knowledge in models, and this assumption has motivated past work on model editing methods. Specifically, we show that localization conclusions from representation denoising (also known as Causal Tracing) do not provide any insight into which model MLP layer would be best to edit in order to override an existing stored fact with a new one. This finding raises questions about how past work relies on Causal Tracing to select which model layers to edit. Next, we consider several variants of the editing problem, including erasing and amplifying facts. For one of our editing problems, editing performance does relate to localization results from representation denoising, but we find that which layer we edit is a far better predictor of performance. Our results suggest, counterintuitively, that better mechanistic understanding of how pretrained language models work may not always translate to insights about how to best change their behavior.
The Geometry of Neural Nets' Parameter Spaces Under Reparametrization
Authors: Felix Dangel, Philipp Hennig Agustinus Kristiadi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Model reparametrization, which follows the change-of-variable rule of calculus, is a popular way to improve the training of neural nets. But it can also be problematic since it can induce inconsistencies in, e.g., Hessian-based flatness measures, optimization trajectories, and modes of probability densities. This complicates downstream analyses: e.g. one cannot definitively relate flatness with generalization since arbitrary reparametrization changes their relationship. In this work, we study the invariance of neural nets under reparametrization from the perspective of Riemannian geometry. From this point of view, invariance is an inherent property of any neural net if one explicitly represents the metric and uses the correct associated transformation rules. This is important since although the metric is always present, it is often implicitly assumed as identity, and thus dropped from the notation, then lost under reparametrization. We discuss implications for measuring the flatness of minima, optimization, and for probability-density maximization. Finally, we explore some interesting directions where invariance is useful.
A Dataset of Relighted 3D Interacting Hands
Authors: Shunsuke Saito, Weipeng Xu, Rohan Joshi, Julia Buffalini, Harley Bellan, Nicholas Rosen, Jesse Richardson, Mallorie Mize, Philippe De Bree, Tomas Simon, Bo Peng, Shubham Garg, Kevyn McPhail, Takaaki Shiratori Gyeongsik Moon
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: The two-hand interaction is one of the most challenging signals to analyze due to the self-similarity, complicated articulations, and occlusions of hands. Although several datasets have been proposed for the two-hand interaction analysis, all of them do not achieve 1) diverse and realistic image appearances and 2) diverse and large-scale groundtruth (GT) 3D poses at the same time. In this work, we propose Re:InterHand, a dataset of relighted 3D interacting hands that achieve the two goals. To this end, we employ a state-of-the-art hand relighting network with our accurately tracked two-hand 3D poses. We compare our Re:InterHand with existing 3D interacting hands datasets and show the benefit of it. Our Re:InterHand is available in https://mks0601.github.io/ReInterHand/
Multi-Objective Intrinsic Reward Learning for Conversational Recommender Systems
Authors: Nan Wang, Hongning Wang Zhendong Chu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Conversational Recommender Systems (CRS) actively elicit user preferences to generate adaptive recommendations. Mainstream reinforcement learning-based CRS solutions heavily rely on handcrafted reward functions, which may not be aligned with user intent in CRS tasks. Therefore, the design of task-specific rewards is critical to facilitate CRS policy learning, which remains largely under-explored in the literature. In this work, we propose a novel approach to address this challenge by learning intrinsic rewards from interactions with users. Specifically, we formulate intrinsic reward learning as a multi-objective bi-level optimization problem. The inner level optimizes the CRS policy augmented by the learned intrinsic rewards, while the outer level drives the intrinsic rewards to optimize two CRS-specific objectives: maximizing the success rate and minimizing the number of turns to reach a successful recommendation}in conversations. To evaluate the effectiveness of our approach, we conduct extensive experiments on three public CRS benchmarks. The results show that our algorithm significantly improves CRS performance by exploiting informative learned intrinsic rewards.
Predict-then-Calibrate: A New Perspective of Robust Contextual LP
Authors: Linyu Liu, Xiaocheng Li Chunlin Sun
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Contextual optimization, also known as predict-then-optimize or prescriptive analytics, considers an optimization problem with the presence of covariates (context or side information). The goal is to learn a prediction model (from the training data) that predicts the objective function from the covariates, and then in the test phase, solve the optimization problem with the covariates but without the observation of the objective function. In this paper, we consider a risk-sensitive version of the problem and propose a generic algorithm design paradigm called predict-then-calibrate. The idea is to first develop a prediction model without concern for the downstream risk profile or robustness guarantee, and then utilize calibration (or recalibration) methods to quantify the uncertainty of the prediction. While the existing methods suffer from either a restricted choice of the prediction model or strong assumptions on the underlying data, we show the disentangling of the prediction model and the calibration/uncertainty quantification has several advantages. First, it imposes no restriction on the prediction model and thus fully unleashes the potential of off-the-shelf machine learning methods. Second, the derivation of the risk and robustness guarantee can be made independent of the choice of the prediction model through a data-splitting idea. Third, our paradigm of predict-then-calibrate applies to both (risk-sensitive) robust and (risk-neutral) distributionally robust optimization (DRO) formulations. Theoretically, it gives new generalization bounds for the contextual LP problem and sheds light on the existing results of DRO for contextual LP. Numerical experiments further reinforce the advantage of the predict-then-calibrate paradigm in that an improvement on either the prediction model or the calibration model will lead to a better final performance.
INSPECT: A Multimodal Dataset for Patient Outcome Prediction of Pulmonary Embolisms
Authors: Zepeng Huo, Ethan Steinberg, Chia-Chun Chiang, Curtis Langlotz, Matthew Lungren, Serena Yeung, Nigam Shah, Jason Fries Shih-Cheng Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Synthesizing information from various data sources plays a crucial role in the practice of modern medicine. Current applications of artificial intelligence in medicine often focus on single-modality data due to a lack of publicly available, multimodal medical datasets. To address this limitation, we introduce INSPECT, which contains de-identified longitudinal records from a large cohort of pulmonary embolism (PE) patients, along with ground truth labels for multiple outcomes. INSPECT contains data from 19,402 patients, including CT images, sections of radiology reports, and structured electronic health record (EHR) data (including demographics, diagnoses, procedures, and vitals). Using our provided dataset, we develop and release a benchmark for evaluating several baseline modeling approaches on a variety of important PE related tasks. We evaluate image-only, EHR-only, and fused models. Trained models and the de-identified dataset are made available for non-commercial use under a data use agreement. To the best our knowledge, INSPECT is the largest multimodal dataset for enabling reproducible research on strategies for integrating 3D medical imaging and EHR data.
What Makes Good Examples for Visual In-Context Learning?
Authors: Kaiyang Zhou, Ziwei Liu Yuanhan Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large vision models with billions of parameters and trained on broad data have great potential in numerous downstream applications. However, these models are typically difficult to adapt due to their large parameter size and sometimes lack of accesss to their weights---entities able to develop large vision models often provide APIs only. In this paper, we study how to better utilize large vision models through the lens of in-context learning, a concept that has been well-known in natural language processing but has only been studied very recently in computer vision. In-context learning refers to the ability to perform inference on tasks never seen during training by simply conditioning on in-context examples (i.e., input-output pairs) without updating any internal model parameters. To demystify in-context learning in computer vision, we conduct an extensive research and identify a critical problem: downstream performance is highly sensitivie to the choice of visual in-context examples. To address this problem, we propose a prompt retrieval framework specifically for large vision models, allowing the selection of in-context examples to be fully automated. Concretely, we provide two implementations: (i) an unsupervised prompt retrieval method based on nearest example search using an off-the-shelf model, and (ii) a supervised prompt retrieval method, which trains a neural network to choose examples that directly maximize in-context learning performance. Both methods do not require access to the internal weights of large vision models. Our results demonstrate that our methods can bring non-trivial improvements to visual in-context learning in comparison to the commonly-used random selection. Code and models will be released.
Parameterizing Context: Unleashing the Power of Parameter-Efficient Fine-Tuning and In-Context Tuning for Continual Table Semantic Parsing
Authors: Shenyu Zhang, Guilin Qi, Xinnan Guo Yongrui Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Continual table semantic parsing aims to train a parser on a sequence of tasks, where each task requires the parser to translate natural language into SQL based on task-specific tables but only offers limited training examples. Conventional methods tend to suffer from overfitting with limited supervision, as well as catastrophic forgetting due to parameter updates.Despite recent advancements that partially alleviate these issues through semi-supervised data augmentation and retention of a few past examples, the performance is still limited by the volume of unsupervised data and stored examples.To overcome these challenges, this paper introduces a novel method integrating parameter-efficient fine-tuning (PEFT) and in-context tuning (ICT) for training a continual table semantic parser. Initially, we present a task-adaptive PEFT framework capable of fully circumventing catastrophic forgetting, which is achieved by freezing the pre-trained model backbone and fine-tuning small-scale prompts. Building on this, we propose a teacher-student framework-based solution. The teacher addresses the few-shot problem using ICT, which procures contextual information by demonstrating a few training examples. In turn, the student leverages the proposed PEFT framework to learn from the teacher's output distribution, and subsequently compresses and saves the contextual information to the prompts, eliminating the need to store any training examples.Experimental evaluations on two benchmarks affirm the superiority of our method over prevalent few-shot and continual learning baselines across various metrics.
Incentives in Federated Learning: Equilibria, Dynamics, and Mechanisms for Welfare Maximization
Authors: Zhuowen Yuan, Bhaskar Ray Chaudhury, Bo Li, Ruta Mehta Aniket Murhekar
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Federated learning (FL) has emerged as a powerful scheme to facilitate the collaborative learning of models amongst a set of agents holding their own private data.  Although the agents benefit from the global model trained on shared data, by participating in federated learning, they may also incur costs (related to privacy and communication) due to data sharing. In this paper, we model a collaborative FL framework, where every agent attempts to achieve an optimal trade-off between her learning payoff and data sharing cost. We show the existence of Nash equilibrium (NE) under mild assumptions on agents' payoff and costs. Furthermore, we show that agents can discover the NE via best response dynamics. However, some of the NE may be bad in terms of overall welfare for the agents, implying little incentive for some fraction of the agents to participate in the learning. To remedy this, we design a budget-balanced mechanism involving payments to the agents, that ensures that any $p$-mean welfare function of the agents' utilities is maximized at NE. In addition, we introduce a FL protocol FedBR-BG that incorporates our budget-balanced mechanism, utilizing best response dynamics. Our empirical validation on MNIST and CIFAR-10 substantiates our theoretical analysis. We show that FedBR-BG outperforms the basic best-response-based protocol without additional incentivization, the standard federated learning protocol FedAvg, as well as a recent baseline MWFed in terms of achieving superior $p$-mean welfare.
MKOR: Momentum-Enabled Kronecker-Factor-Based Optimizer Using Rank-1 Updates
Authors: Sikan Li, Zhao Zhang, Maryam Mehri Dehnavi Mohammad Mozaffari
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This work proposes a Momentum-Enabled Kronecker-Factor-Based Optimizer Using Rank-1 updates, called MKOR, that improves the training time and convergence properties of deep neural networks (DNNs). Second-order techniques, while enjoying higher convergence rates vs first-order counterparts, have cubic complexity with respect to either the model size and/or the training batch size. Hence they exhibit poor scalability and performance in transformer models, e.g. large language models (LLMs), because the batch sizes in these models  scale by the attention mechanism sequence length, leading to large model size and batch sizes. MKOR's complexity is quadratic with respect to the model size, alleviating the computation bottlenecks in  second-order methods. Because of their high computation complexity, state-of-the-art implementations of second-order methods can only afford to update the second order information infrequently, and thus do not fully exploit the promise of better convergence from these updates. By reducing the communication complexity of the second-order updates as well as achieving a linear communication complexity, MKOR increases the frequency of second order updates. We also propose a hybrid version of MKOR (called MKOR-H) that mid-training falls backs to a first order optimizer if the second order updates  no longer accelerate convergence.  Our experiments show that MKOR outperforms state -of-the-art first order methods, e.g. the LAMB optimizer, and best implementations of second-order methods, i.e. KAISA/KFAC, up to 2.57x and 1.85x respectively on BERT-Large-Uncased on 64 GPUs.
DFRD: Data-Free Robustness Distillation for Heterogeneous Federated Learning
Authors: Shuai Wang, Yexuan Fu, Xiang Li, Yunshi Lan, Ming Gao kangyang Luo
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Federated Learning (FL) is a privacy-constrained decentralized machine learning paradigm in which clients enable collaborative training without compromising private data. However, how to learn a robust global model in the data-heterogeneous and model-heterogeneous FL scenarios is challenging. To address it, we resort to data-free knowledge distillation to propose a new FL method (namely DFRD).DFRD equips a conditional generator on the server to approximate the training space of the local models uploaded by clients, and systematically investigates its training in terms of fidelity, transferability and diversity. To overcome the catastrophic forgetting of the global model caused by the distribution shifts of the generator across communication rounds, we maintain an exponential moving average copy of the generator on the server.  Additionally, we propose dynamic weighting and label sampling to accurately extract knowledge from local models. Finally, our extensive experiments on various image classification tasks illustrate that DFRD achieves significant performance gains compared to SOTA baselines.
SG×P : A Sorghum Genotype × Phenotype Prediction Dataset and Benchmark
Authors: Robert Pless, Nadia Shakoor, Austin Carnahan, Abby Stylianou Zeyu Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Large scale field-phenotyping approaches have the potential to solve important questions about the relationship of plant genotype to plant phenotype.  Computational approaches to measuring the phenotype (the observable plant features) are required to address the problem at a large scale, but machine learning approaches to extract phenotypes from sensor data have been hampered by limited access to (a) sufficiently large, organized multi-sensor datasets, (b) field trials that have a large scale and significant number of genotypes, (c) full genetic sequencing of those phenotypes, and (d) datasets sufficiently organized so that algorithm centered researchers can directly address the real biological problems.  To address this, we present SGxP, a novel benchmark dataset from a large-scale field trial consisting of the complete genotype of over 300 sorghum varieties, and time sequences of imagery from several field plots growing each variety, taken with RGB and laser 3D scanner imaging.  To lower the barrier to entry and facilitate further developments, we provide a set of well organized, multi-sensor imagery and corresponding genomic data.  We implement baseline deep learning based phenotyping approaches to create baseline results for individual sensors and multi-sensor fusion for detecting genetic mutations with known impacts.  We also provide and support an open-ended challenge by identifying thousands of genetic mutations whose phenotypic impacts are currently unknown.  A web interface for machine learning researchers and practitioners to share approaches, visualizations and hypotheses supports engagement with plant biologists to further the understanding of the sorghum genotype x phenotype relationship. The full dataset, leaderboard (including baseline results) and discussion forums can be found at http://sorghumsnpbenchmark.com.
Rank-N-Contrast: Learning Continuous Representations for Regression
Authors: Peng Cao, Jeany Son, Yuzhe Yang, Dina Katabi Kaiwen Zha
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Deep regression models typically learn in an end-to-end fashion without explicitly emphasizing a regression-aware representation. Consequently, the learned representations exhibit fragmentation and fail to capture the continuous nature of sample orders, inducing suboptimal results across a wide range of regression tasks. To fill the gap, we propose Rank-N-Contrast (RNC), a framework that learns continuous representations for regression by contrasting samples against each other based on their rankings in the target space. We demonstrate, theoretically and empirically, that RNC guarantees the desired order of learned representations in accordance with the target orders, enjoying not only better performance but also significantly improved robustness, efficiency, and generalization. Extensive experiments using five real-world regression datasets that span computer vision, human-computer interaction, and healthcare verify that RNC achieves state-of-the-art performance, highlighting its intriguing properties including better data efficiency, robustness to spurious targets and data corruptions, and generalization to distribution shifts.
OpenGSL: A Comprehensive Benchmark for Graph Structure Learning
Authors: Sheng Zhou, Bochao Mao, Xuanyi Zhou, Jiawei Chen, Qiaoyu Tan, Daochen Zha, Yan Feng, Chun Chen, Can Wang Zhiyao Zhou
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. We also find that there is no significant correlation between the homophily of the learned structure and task performance, challenging the common belief. Moreover, we observe that the learned graph structure demonstrates a strong generalization ability across different GNN models, despite the high computational and space consumption. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in this field. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.
Global Optimality in Bivariate Gradient-based DAG Learning
Authors: Kevin Bello, Pradeep K. Ravikumar, Bryon Aragam Chang Deng
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recently, a new class of non-convex optimization problems motivated by the statistical problem of learning an acyclic directed graphical model from data has attracted significant interest. While existing work uses standard first-order optimization schemes to solve this problem, proving the global optimality of such approaches has proven elusive. The difficulty lies in the fact that unlike other non-convex problems in the literature, this problem is not "benign", and possesses multiple spurious solutions that standard approaches can easily get trapped in. In this paper, we prove that a simple path-following optimization scheme globally converges to the global minimum of the population loss in the bivariate setting.
Perceptual adjustment queries and an inverted measurement paradigm for low-rank metric learning
Authors: Andrew McRae, Jingyan Wang, Mark Davenport, Ashwin Pananjady Austin Xu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We introduce a new type of query mechanism for collecting human feedback, called the perceptual adjustment query (PAQ). Being both informative and cognitively lightweight, the PAQ adopts an inverted measurement scheme, and combines advantages from both cardinal and ordinal queries. We showcase the PAQ in the metric learning problem, where we collect PAQ measurements to learn an unknown Mahalanobis distance. This gives rise to a high-dimensional, low-rank matrix estimation problem to which standard matrix estimators cannot be applied. Consequently, we develop a two-stage estimator for metric learning from PAQs, and provide sample complexity guarantees for this estimator. We present numerical simulations demonstrating the performance of the estimator and its notable properties.
Joint processing of linguistic properties in brains and language models
Authors: Manish Gupta, Mariya Toneva SUBBAREDDY OOTA
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Language models have been shown to be very effective in predicting brain recordings of subjects experiencing complex language stimuli. For a deeper understanding of this alignment, it is important to understand the correspondence between the detailed processing of linguistic information by the human brain versus language models. We investigate this correspondence via a direct approach, in which we eliminate information related to specific linguistic properties in the language model representations and observe how this intervention affects the alignment with fMRI brain recordings obtained while participants listened to a story. We investigate a range of linguistic properties (surface, syntactic, and semantic) and find that the elimination of each one results in a significant decrease in brain alignment. Specifically, we find that syntactic properties (i.e. Top Constituents and Tree Depth) have the largest effect on the trend of brain alignment across model layers. These findings provide clear evidence for the role of specific linguistic information in the alignment between brain and language models, and open new avenues for mapping the joint information processing in both systems. We make the code publicly available https://github.com/subbareddy248/lingprop-brain-alignment.
$S^3$: Increasing GPU Utilization during Generative Inference for Higher Throughput
Authors: Chun-Feng Wu, David Brooks, Gu-Yeon Wei Yunho Jin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Generating texts with a large language model (LLM) consumes massive amounts of memory. Apart from the already-large model parameters, the key/value (KV) cache that holds information about previous tokens in a sequence can grow to be even larger than the model itself. This problem is exacerbated in one of the current LLM serving frameworks which reserves the maximum sequence length of memory for the KV cache to guarantee generating a complete sequence as they do not know the output sequence length. This restricts us to use a smaller batch size leading to lower GPU utilization and above all, lower throughput. We argue that designing a system with a priori knowledge of the output sequence can mitigate this problem. To this end, we propose $S^3$, which predicts the output sequence length, schedules generation queries based on the prediction to increase device resource utilization and throughput, and handle mispredictions. Our proposed method achieves 6.49× throughput over those systems that assume the worst case for the output sequence length.
Disentangling Cognitive Diagnosis with Limited Exercise Labels
Authors: Le Wu, Fei Liu, Lei Chen, Kun Zhang, Richang Hong, Meng Wang Xiangzhi Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Cognitive diagnosis is an important task in intelligence education, which aims at measuring students’ proficiency in specific knowledge concepts. Given a fully labeled exercise-concept matrix, most existing models focused on mining students' response records for cognitive diagnosis. Despite their success, due to the huge cost of labeling exercises, a more practical scenario is that limited exercises are labeled with concepts. Performing cognitive diagnosis with limited exercise labels is under-explored and remains pretty much open. In this paper, we propose Disentanglement based Cognitive Diagnosis (DCD) to address the challenges of limited exercise labels. Specifically, we utilize students' response records to model student proficiency, exercise difficulty and exercise label distribution.   Then, we introduce two novel modules - group-based disentanglement and limited-labeled alignment modules - to disentangle the factors relevant to concepts and align them with real limited labels.  Particularly, we introduce the tree-like structure of concepts with negligible cost for group-based disentangling, as concepts of different levels exhibit different independence relationships.Extensive experiments on widely used benchmarks demonstrate the superiority of our proposed model.
Energy-Based Sliced Wasserstein Distance
Authors: Nhat Ho Khai Nguyen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The sliced Wasserstein (SW) distance has been widely recognized as a statistically effective and computationally efficient metric between two probability measures. A key component of the SW distance is the slicing distribution. There are two existing approaches for choosing this distribution. The first approach is using a fixed prior distribution. The second approach is optimizing for the best distribution which belongs to a parametric family of distributions and can maximize the expected distance. However, both approaches have their limitations. A fixed prior distribution is non-informative in terms of highlighting projecting directions that can discriminate two general probability measures. Doing optimization for the best distribution is often expensive and unstable. Moreover, designing the parametric family of the candidate distribution could be easily misspecified. To address the issues, we propose to design the slicing distribution as an energy-based distribution that is parameter-free and has the density proportional to an energy function of the projected one-dimensional Wasserstein distance. We then derive a novel sliced Wasserstein variant, energy-based sliced Waserstein (EBSW) distance, and investigate its topological, statistical, and computational properties via importance sampling, sampling importance resampling, and Markov Chain methods. Finally, we conduct experiments on point-cloud gradient flow, color transfer, and point-cloud reconstruction to show the favorable performance of the EBSW.
E2PNet: Event to Point Cloud Registration with Spatio-Temporal Representation Learning
Authors: Changjie Qiu, zhipeng cai, Siqi Shen, Yu Zang, Weiquan Liu, Xuesheng Bian, Matthias Müller, Cheng Wang Xiuhong Lin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Event cameras have emerged as a promising vision sensor in recent years due to their unparalleled temporal resolution and dynamic range. While registration of 2D RGB images to 3D point clouds is a long-standing problem in computer vision, no prior work studies 2D-3D registration for event cameras. To this end, we propose E2PNet, the first learning-based method for event-to-point cloud registration.The core of E2PNet is a novel feature representation network called Event-Points-to-Tensor (EP2T), which encodes event data into a 2D grid-shaped feature tensor. This grid-shaped feature enables matured RGB-based frameworks to be easily used for event-to-point cloud registration, without changing hyper-parameters and the training procedure. EP2T treats the event input as spatio-temporal point clouds. Unlike standard 3D learning architectures that treat all dimensions of point clouds equally, the novel sampling and information aggregation modules in EP2T are designed to handle the inhomogeneity of the spatial and temporal dimensions. Experiments on the MVSEC and VECtor datasets demonstrate the superiority of E2PNet over hand-crafted and other learning-based methods. Compared to RGB-based registration, E2PNet is more robust to extreme illumination or fast motion due to the use of event data. Beyond 2D-3D registration, we also show the potential of EP2T for other vision tasks such as flow estimation, event-to-image reconstruction and object recognition. The source code can be found at: https://github.com/Xmu-qcj/E2PNet.
Pengi: An Audio Language Model for Audio Tasks
Authors: Benjamin Elizalde, Rita Singh, Huaming Wang Soham Deshmukh
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In the domain of audio processing, Transfer Learning has facilitated the rise of Self-Supervised Learning and Zero-Shot Learning techniques. These approaches have led to the development of versatile models capable of tackling a wide array of tasks, while delivering state-of-the-art performance. However, current models inherently lack the capacity to produce the requisite language for open-ended tasks, such as Audio Captioning or Audio Question Answering. We introduce Pengi, a novel Audio Language Model that leverages Transfer Learning by framing all audio tasks as text-generation tasks. It takes as input, an audio recording, and text, and generates free-form text as output. The input audio is represented as a sequence of continuous embeddings by an audio encoder. A text encoder does the same for the corresponding text input. Both sequences are combined as a prefix to prompt a pre-trained frozen language model. The unified architecture of Pengi enables open-ended tasks and close-ended tasks without any additional fine-tuning or task-specific extensions. When evaluated on 21 downstream tasks, our approach yields state-of-the-art performance in several of them. Our results show that connecting language models with audio models is a major step towards general-purpose audio understanding.
Unleashing the Power of Graph Data Augmentation on Covariate Distribution Shift
Authors: Qitian Wu, Jiancan Wu, Qing Cui, Longfei Li, Jun Zhou, Xiang Wang, Xiangnan He Yongduo Sui
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The issue of distribution shifts is emerging as a critical concern in graph representation learning. From the perspective of invariant learning and stable learning, a recently well-established paradigm for out-of-distribution generalization, stable features of the graph are assumed to causally determine labels, while environmental features tend to be unstable and can lead to the two primary types of distribution shifts. The correlation shift is often caused by the spurious correlation between environmental features and labels that differs between the training and test data; the covariate shift often stems from the presence of new environmental features in test data. However, most strategies, such as invariant learning or graph augmentation, typically struggle with limited training environments or perturbed stable features, thus exposing limitations in handling the problem of covariate shift. To address this challenge, we propose a simple-yet-effective data augmentation strategy, Adversarial Invariant Augmentation (AIA), to handle the covariate shift on graphs. Specifically, given the training data, AIA aims to extrapolate and generate new environments, while concurrently preserving the original stable features during the augmentation process. Such a design equips the graph classification model with an enhanced capability to identify stable features in new environments, thereby effectively tackling the covariate shift in data. Extensive experiments with in-depth empirical analysis demonstrate the superiority of our approach. The implementation codes are publicly available at https://github.com/yongduosui/AIA.
Adaptive recurrent vision performs zero-shot computation scaling to unseen difficulty levels
Authors: Srinivas Ravishankar, Yuan Tang, Ritik Raina, Virginia R. de Sa Vijay Veerabadran
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Humans solving algorithmic (or) reasoning problems typically exhibit solution times that grow as a function of problem difficulty. Adaptive recurrent neural networks have been shown to exhibit this property for various language-processing tasks. However, little work has been performed to assess whether such adaptive computation can also enable vision models to extrapolate solutions beyond their training distribution's difficulty level, with prior work focusing on very simple tasks. In this study, we investigate a critical functional role of such adaptive processing using recurrent neural networks: to dynamically scale computational resources conditional on input requirements that allow for zero-shot generalization to novel difficulty levels not seen during training using two challenging visual reasoning tasks: PathFinder and Mazes. We combine convolutional recurrent neural networks (ConvRNNs) with a learnable halting mechanism based on Graves (2016). We explore various implementations of such adaptive ConvRNNs (AdRNNs) ranging from tying weights across layers to more sophisticated biologically inspired recurrent networks that possess lateral connections and gating. We show that 1) AdRNNs learn to dynamically halt processing early (or late) to solve easier (or harder) problems, 2) these RNNs zero-shot generalize to more difficult problem settings not shown during training by dynamically increasing the number of recurrent iterations at test time. Our study provides modeling evidence supporting the hypothesis that recurrent processing enables the functional advantage of adaptively allocating compute resources conditional on input requirements and hence allowing generalization to harder difficulty levels of a visual reasoning problem without training.
NurViD: A Large Expert-Level Video Database for Nursing Procedure Activity Understanding
Authors: Lin Wang, Siyuan Yan, Don Ma, Qingli Ren, Peng Xia, Wei Feng, Peibo Duan, Lie Ju, Zongyuan Ge Ming Hu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: The application of deep learning to nursing procedure activity understanding has the potential to greatly enhance the quality and safety of nurse-patient interactions. By utilizing the technique, we can facilitate training and education, improve quality control, and enable operational compliance monitoring. However, the development of automatic recognition systems in this field is currently hindered by the scarcity of appropriately labeled datasets. The existing video datasets pose several limitations: 1) these datasets are small-scale in size to support comprehensive investigations of nursing activity; 2) they primarily focus on single procedures, lacking expert-level annotations for various nursing procedures and action steps; and 3) they lack temporally localized annotations, which prevents the effective localization of targeted actions within longer video sequences. To mitigate these limitations, we propose NurViD, a large video dataset with expert-level annotation for nursing procedure activity understanding. NurViD consists of over 1.5k videos totaling 144 hours, making it approximately four times longer than the existing largest nursing activity datasets. Notably, it encompasses 51 distinct nursing procedures and 177 action steps, providing a much more comprehensive coverage compared to existing datasets that primarily focus on limited procedures. To evaluate the efficacy of current deep learning methods on nursing activity understanding, we establish three benchmarks on NurViD: procedure recognition on untrimmed videos, procedure and action recognition on trimmed videos, and action detection. Our benchmark and code will be available at https://github.com/minghu0830/NurViD-benchmark.
The Pick-to-Learn Algorithm: Empowering Compression for Tight Generalization Bounds and Improved Post-training Performance
Authors: Marco Campi, Simone Garatti Dario Paccagnan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Generalization bounds are valuable both for theory and applications. On the one hand, they shed light on the mechanisms that underpin the learning processes; on the other, they certify how well a learned model performs against unseen inputs.  In this work we build upon a recent breakthrough in compression theory to develop a new framework yielding tight generalization bounds of wide practical applicability.  The core idea is to embed any given learning algorithm into a suitably-constructed meta-algorithm (here called Pick-to-Learn, P2L) in order to instill desirable compression properties. When applied to the MNIST classification dataset and to a synthetic regression problem, P2L not only attains generalization bounds that compare favorably with the state of the art (test-set and PAC-Bayes bounds), but it also learns models with better post-training performance.