mtybilly/Instruct2DS huggingface dataset:
ClimSim: A large multi-scale dataset for hybrid physics-ML climate emulation
Authors: Sungduk Yu, Walter Hannah, Liran Peng, Jerry Lin, Mohamed Aziz Bhouri, Ritwik Gupta, Björn Lütjens, Justus C. Will, Gunnar Behrens, Julius Busecke, Nora Loose, Charles Stern, Tom Beucler, Bryce Harrop, Benjamin Hillman, Andrea Jenney, Savannah L. Ferretti, Nana Liu, Animashree Anandkumar, Noah Brenowitz, Veronika Eyring, Nicholas Geneva, Pierre Gentine, Stephan Mandt, Jaideep Pathak, Akshay Subramaniam, Carl Vondrick, Rose Yu, Laure Zanna, Tian Zheng, Ryan Abernathey, Fiaz Ahmed, David Bader, Pierre Baldi, Elizabeth Barnes, Christopher Bretherton, Peter Caldwell, Wayne Chuang, Yilun Han, YU HUANG, Fernando Iglesias-Suarez, Sanket Jantre, Karthik Kashinath, Marat Khairoutdinov, Thorsten Kurth, Nicholas Lutsko, Po-Lun Ma, Griffin Mooers, J. David Neelin, David Randall, Sara Shamekh, Mark Taylor, Nathan Urban, Janni Yuval, Guang Zhang, Mike Pritchard
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state.The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.
Relative Entropic Optimal Transport: a (Prior-aware) Matching Perspective to (Unbalanced) Classification
Authors: Liangliang Shi, Haoyu Zhen, Gu Zhang, Junchi Yan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Classification is a fundamental problem in machine learning, and considerable efforts have been recently devoted to the demanding long-tailed setting due to its prevalence in nature. Departure from the Bayesian framework, this paper rethinks classification from a matching perspective by studying the matching probability between samples and labels with optimal transport (OT) formulation. Specifically, we first propose a new variant of optimal transport, called Relative Entropic Optimal Transport (RE-OT), which guides the coupling solution to a known prior information matrix. We gives some theoretical results and their proof for RE-OT and surprisingly find RE-OT can help to deblur for barycenter images. Then we adopt inverse RE-OT for training long-tailed data and find that the loss derived from RE-OT has a similar form to Softmax-based cross-entropy loss, indicating a close connection between optimal transport and classification and the potential for transferring concepts between these two academic fields, such as barycentric projection in OT, which can map the labels back to the feature space. We further derive an epoch-varying RE-OT loss, and do the experiments on unbalanced image classification,  molecule classification, instance segmentation and representation learning. Experimental results show its effectiveness.
Connecting Multi-modal Contrastive Representations
Authors: Zehan Wang, Yang Zhao, Xize 成, Haifeng Huang, Jiageng Liu, Aoxiong Yin, Li Tang, Linjun Li, Yongqi Wang, Ziang Zhang, Zhou Zhao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Multi-modal Contrastive Representation (MCR) learning aims to encode different modalities into a semantically aligned shared space. This paradigm shows remarkable generalization ability on numerous downstream tasks across various modalities. However, the reliance on massive high-quality data pairs limits its further development on more modalities. This paper proposes a novel training-efficient method for learning MCR without paired data called Connecting Multi-modal Contrastive Representations (C-MCR). Specifically, given two existing MCRs pre-trained on $(\mathcal{A}$, $\mathcal{B})$ and $(\mathcal{B}$, $\mathcal{C})$ modality pairs, we project them to a new space and use the data from the overlapping modality $\mathcal{B}$ to aligning the two MCRs in the new space. Meanwhile, since the modality pairs $(\mathcal{A}$, $\mathcal{B})$ and $(\mathcal{B}$, $\mathcal{C})$ are already aligned within each MCR, the connection learned by overlapping modality can also be transferred to non-overlapping modality pair $(\mathcal{A}$, $\mathcal{C})$. To unleash the potential of C-MCR, we further introduce a semantic-enhanced inter- and intra-MCR connection method. We first enhance the semantic consistency and completion of embeddings across different modalities for more robust alignment. Then we utilize the inter-MCR alignment to establish the connection, and employ the intra-MCR alignment to better maintain the connection for inputs from non-overlapping modalities. To demonstrate the effectiveness of C-MCR, we take the field of audio-visual and 3D-language learning as examples. Specifically, we connect CLIP and CLAP via texts to derive audio-visual representations, and integrate CLIP and ULIP via images for 3D-language representations. Remarkably, without using any paired data, C-MCR for audio-visual achieves state-of-the-art performance on audio-image retrieval, audio-visual source localization, and counterfactual audio-image recognition tasks. Furthermore, C-MCR for 3D-language also attains advanced zero-shot 3D point cloud classification accuracy on ModelNet40. Our project page is available at \url{https://c-mcr.github.io/C-MCR/}
Boosting Learning for LDPC Codes to Improve the Error-Floor Performance
Authors: Hee-Youl Kwak, Dae-Young Yun, Yongjune Kim, Sang-Hyo Kim, Jong-Seon No
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Low-density parity-check (LDPC) codes have been successfully commercialized in communication systems due to their strong error correction capabilities and simple decoding process. However, the error-floor phenomenon of LDPC codes, in which the error rate stops decreasing rapidly at a certain level, presents challenges for achieving extremely low error rates and deploying LDPC codes in scenarios demanding ultra-high reliability. In this work, we propose training methods for neural min-sum (NMS) decoders to eliminate the error-floor effect. First, by leveraging the boosting learning technique of ensemble networks, we divide the decoding network into two neural decoders and train the post decoder to be specialized for uncorrected words that the first decoder fails to correct. Secondly, to address the vanishing gradient issue in training, we introduce a block-wise training schedule that locally trains a block of weights while retraining the preceding block. Lastly, we show that assigning different weights to unsatisfied check nodes effectively lowers the error-floor with a minimal number of weights. By applying these training methods to standard LDPC codes, we achieve the best error-floor performance compared to other decoding methods. The proposed NMS decoder, optimized solely through novel training methods without additional modules, can be integrated into existing LDPC decoders without incurring extra hardware costs. The source code is available at https://github.com/ghy1228/LDPCErrorFloor.
Learning Score-based Grasping Primitive for Human-assisting Dexterous Grasping
Authors: Tianhao Wu, Mingdong Wu, Jiyao Zhang, Yunchong Gan, Hao Dong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The use of anthropomorphic robotic hands for assisting individuals in situations where human hands may be unavailable or unsuitable has gained significant importance. In this paper, we propose a novel task called human-assisting dexterous grasping that aims to train a policy for controlling a robotic hand's fingers to assist users in grasping objects. Unlike conventional dexterous grasping, this task presents a more complex challenge as the policy needs to adapt to diverse user intentions, in addition to the object's geometry.  We address this challenge by proposing an approach consisting of two sub-modules: a hand-object-conditional grasping primitive called Grasping Gradient Field (GraspGF), and a history-conditional residual policy.  GraspGF learns 'how' to grasp by estimating the gradient of a synthesised success grasping example set, while the residual policy determines 'when' and at what speed the grasping action should be executed based on the trajectory history. Experimental results demonstrate the superiority of our proposed method compared to baselines, highlighting the user-awareness and practicality in real-world applications. The codes and demonstrations can be viewed at https://sites.google.com/view/graspgf.
Maximize to Explore: One Objective Function Fusing Estimation, Planning, and Exploration
Authors: Zhihan Liu, Miao Lu, WEI XIONG, Han Zhong, Hao Hu, Shenao Zhang, Sirui Zheng, Zhuoran Yang, Zhaoran Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In reinforcement learning (RL), balancing exploration and exploitation is crucial for achieving an optimal policy in a sample-efficient way. To this end, existing sample- efficient algorithms typically consist of three components: estimation, planning, and exploration. However, to cope with general function approximators, most of them involve impractical algorithmic components to incentivize exploration, such as data-dependent level-set constraints or complicated sampling procedures. To address this challenge, we propose an easy-to-implement RL framework called Maximize to Explore (MEX), which only needs to optimize unconstrainedly a single objective that integrates the estimation and planning components while balancing exploration and exploitation automatically. Theoretically, we prove that the MEX achieves a sublinear regret with general function approximators and is extendable to the zero-sum Markov game setting. Meanwhile, we adapt deep RL baselines to design practical versions of MEX in both the model-based and model-free settings, which outperform baselines in various MuJoCo environments with sparse reward by a stable margin. Compared with existing sample-efficient algorithms with general function approximators, MEX achieves similar sample efficiency while also enjoying a lower computational cost and is more compatible with modern deep RL methods.
Hokoff: Real Game Dataset from Honor of Kings and its Offline Reinforcement Learning Benchmarks
Authors: Yun Qu, Boyuan Wang, Jianzhun Shao, Yuhang Jiang, Chen Chen, Zhenbin Ye, Liu Linc, Yang Feng, Lin Lai, Hongyang Qin, Minwen Deng, Juchao Zhuo, Deheng Ye, Qiang Fu, YANG GUANG, Wei Yang, Lanxiao Huang, Xiangyang Ji
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: The advancement of Offline Reinforcement Learning (RL) and Offline Multi-Agent Reinforcement Learning (MARL) critically depends on the availability of high-quality, pre-collected offline datasets that represent real-world complexities and practical applications. However, existing datasets often fall short in their simplicity and lack of realism. To address this gap, we propose Hokoff, a comprehensive set of pre-collected datasets that covers both offline RL and offline MARL, accompanied by a robust framework, to facilitate further research. This data is derived from Honor of Kings, a recognized Multiplayer Online Battle Arena (MOBA) game known for its intricate nature, closely resembling real-life situations. Utilizing this framework, we benchmark a variety of offline RL and offline MARL algorithms. We also introduce a novel baseline algorithm tailored for the inherent hierarchical action space of the game. We reveal the incompetency of current offline RL approaches in handling task complexity, generalization and multi-task learning.
Learning and Collusion in Multi-unit Auctions
Authors: Simina Branzei, Mahsa Derakhshan, Negin Golrezaei, Yanjun Han
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In a carbon auction, licenses for CO2 emissions are allocated among multiple interested players. Inspired by this setting, we consider repeated multi-unit auctions with uniform pricing, which are widely used in practice. Our contribution is to analyze these auctions in both the offline and online settings, by designing efficient bidding algorithms with low regret and giving regret lower bounds. We also analyze the quality of the equilibria  in  two  main variants of the auction, finding that one  variant is susceptible to collusion among the bidders while the other is not.
One-2-3-45: Any Single Image to 3D Mesh in 45 Seconds without Per-Shape Optimization
Authors: Minghua Liu, Chao Xu, Haian Jin, Linghao Chen, Mukund Varma T, Zexiang Xu, Hao Su
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Single image 3D reconstruction is an important but challenging task that requires extensive knowledge of our natural world. Many existing methods solve this problem by optimizing a neural radiance field under the guidance of 2D diffusion models but suffer from lengthy optimization time, 3D inconsistency results, and poor geometry. In this work, we propose a novel method that takes a single image of any object as input and generates a full 360-degree 3D textured mesh in a single feed-forward pass. Given a single image, we first use a view-conditioned 2D diffusion model, Zero123, to generate multi-view images for the input view, and then aim to lift them up to 3D space. Since traditional reconstruction methods struggle with inconsistent multi-view predictions, we build our 3D reconstruction module upon an SDF-based generalizable neural surface reconstruction method and propose several critical training strategies to enable the reconstruction of 360-degree meshes. Without costly optimizations, our method reconstructs 3D shapes in significantly less time than existing methods. Moreover, our method favors better geometry, generates more 3D consistent results, and adheres more closely to the input image. We evaluate our approach on both synthetic data and in-the-wild images and demonstrate its superiority in terms of both mesh quality and runtime. In addition, our approach can seamlessly support the text-to-3D task by integrating with off-the-shelf text-to-image diffusion models.
VeriX: Towards Verified Explainability of Deep Neural Networks
Authors: Min Wu, Haoze Wu, Clark Barrett
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present VeriX (Verified eXplainability), a system for producing optimal robust explanations and generating counterfactuals along decision boundaries of machine learning models. We build such explanations and counterfactuals iteratively using constraint solving techniques and a heuristic based on feature-level sensitivity ranking. We evaluate our method on image recognition benchmarks and a real-world scenario of autonomous aircraft taxiing.
Generalized test utilities for long-tail performance in extreme multi-label classification
Authors: Erik Schultheis, Marek Wydmuch, Wojciech Kotlowski, Rohit Babbar, Krzysztof J. Dembczynski
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Extreme multi-label classification (XMLC) is the task of selecting a small subset of relevant labels from a very large set of possible labels. As such, it is characterized by long-tail labels, i.e., most labels have very few positive instances. With standard performance measures such as precision@k, a classifier can ignore tail labels and still report good performance. However, it is often argued that correct predictions in the tail are more "interesting" or "rewarding," but the community has not yet settled on a metric capturing this intuitive concept. The existing propensity-scored metrics fall short on this goal by confounding the problems of long-tail and missing labels. In this paper, we analyze generalized metrics budgeted "at k" as an alternative solution. To tackle the challenging problem of optimizing these metrics, we formulate it in the expected test utility (ETU) framework, which aims to optimize the expected performance on a given test set. We derive optimal prediction rules and construct their computationally efficient approximations with provable regret guarantees and being robust against model misspecification. Our algorithm, based on block coordinate descent, scales effortlessly to XMLC problems and obtains promising results in terms of long-tail performance.
Compositional Foundation Models for Hierarchical Planning
Authors: Anurag Ajay, Seungwook Han, Yilun Du, Shuang Li, Abhi Gupta, Tommi Jaakkola, Josh Tenenbaum, Leslie P. Kaelbling, Akash Srivastava, Pulkit Agrawal
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: To make effective decisions in novel environments with long-horizon goals, it is crucial to engage in hierarchical reasoning across spatial and temporal scales. This entails planning abstract subgoal sequences, visually reasoning about the underlying plans, and executing actions in accordance with the devised plan through visual-motor control. We propose Compositional Foundation Models for Hierarchical Planning (HiP), a foundation model which leverages multiple expert foundation model trained on language, vision and action data individually jointly together to solve long-horizon tasks. We use a large language model to construct symbolic plans that are grounded in the environment through a large video diffusion model. Generated video plans are then grounded to visual-motor control, through an inverse dynamics model that infers actions from generated videos. To enable effective reasoning within this hierarchy, we enforce consistency between the models via iterative refinement. We illustrate the efficacy and adaptability of our approach in three different long-horizon table-top manipulation tasks.
Diffusion Model for Graph Inverse Problems: Towards Effective Source Localization on Complex Networks
Authors: Xin Yan, Hui Fang, Qiang He
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Information diffusion problems, such as the spread of epidemics or rumors, are widespread in society. The inverse problems of graph diffusion, which involve locating the sources and identifying the paths of diffusion based on currently observed diffusion graphs, are crucial to controlling the spread of information. The problem of localizing the source of diffusion is highly ill-posed, presenting a major obstacle in accurately assessing the uncertainty involved. Besides, while comprehending how information diffuses through a graph is crucial, there is a scarcity of research on reconstructing the paths of information propagation. To tackle these challenges, we propose a probabilistic model called DDMSL (Discrete Diffusion Model for Source Localization). Our approach is based on the natural diffusion process of information propagation over complex networks, which can be formulated using a message-passing function. First, we model the forward diffusion of information using Markov chains. Then, we design a reversible residual network to construct a denoising-diffusion model in discrete space for both source localization and reconstruction of information diffusion paths. We provide rigorous theoretical guarantees for DDMSL and demonstrate its effectiveness through extensive experiments on five real-world datasets.
UniT: A Unified Look at Certified Robust Training against Text Adversarial Perturbation
Authors: Muchao Ye, Ziyi Yin, Tianrong Zhang, Tianyu Du, Jinghui Chen, Ting Wang, Fenglong Ma
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent years have witnessed a surge of certified robust training pipelines against text adversarial perturbation constructed by synonym substitutions. Given a base model, existing pipelines provide prediction certificates either in the discrete word space or the continuous latent space. However, they are isolated from each other with a structural gap. We observe that existing training frameworks need unification to provide stronger certified robustness. Additionally,  they mainly focus on building the certification process but neglect to improve the robustness of the base model. To mitigate the aforementioned limitations, we propose a unified framework named UniT that enables us to train flexibly in either fashion by working in the word embedding space. It can provide a stronger robustness guarantee obtained directly from the word embedding space without extra modules. In addition, we introduce the decoupled regularization (DR) loss to improve the robustness of the base model, which includes two separate robustness regularization terms for the feature extraction and classifier modules. Experimental results on widely used text classification datasets further demonstrate the effectiveness of the designed unified framework and the proposed DR loss for improving the certified robust accuracy.
Convergence of Alternating Gradient Descent for Matrix Factorization
Authors: Rachel Ward, Tamara Kolda
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider alternating gradient descent (AGD) with fixed step size applied to the asymmetric matrix factorization objective.  We show that, for a rank-$r$ matrix $A \in \mathbb{R}^{m \times n}$,  $T = C ( \frac{\sigma_1(A)}{\sigma_r(A)} )^2 \log(1/\epsilon)$  iterations of alternating gradient descent suffice to reach an $\epsilon$-optimal factorization   $\| A - X_{T} Y_{T}' \|^2 \leq \epsilon \| A \|^2$   with high probability  starting from an atypical random initialization. The  factors have rank $d \geq r$ so that $X_{T}\in \mathbb{R}^{m \times d}$ and $Y_{T} \in\mathbb{R}^{n \times d}$, and mild overparameterization suffices for the constant  $C$ in the iteration complexity $T$ to be an absolute constant.   Experiments suggest that our proposed initialization is not merely of theoretical benefit, but rather significantly improves the convergence rate of gradient descent in practice. Our proof is conceptually simple: a uniform Polyak-Lojasiewicz (PL) inequality and uniform Lipschitz smoothness constant are guaranteed for a sufficient number of iterations, starting from our random initialization.  Our proof method should be useful for extending and simplifying convergence analyses for a broader class of nonconvex low-rank factorization problems.
SPRING: Studying Papers and Reasoning to play Games
Authors: Yue Wu, So Yeon Min, Shrimai Prabhumoye, Yonatan Bisk, Ruslan Salakhutdinov, Amos Azaria, Tom M. Mitchell, Yuanzhi Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Open-world survival games pose significant challenges for AI algorithms due to their multi-tasking, deep exploration, and goal prioritization requirements. Despite reinforcement learning (RL) being popular for solving games, its high sample complexity limits its effectiveness in complex open-world games like Crafter or Minecraft. We propose a novel approach, SPRING, to read Crafter's original academic paper and use the knowledge learned to reason and play the game through a large language model (LLM).Prompted with the LaTeX source as game context and a description of the agent's current observation, our SPRING framework employs a directed acyclic graph (DAG) with game-related questions as nodes and dependencies as edges. We identify the optimal action to take in the environment by traversing the DAG and calculating LLM responses for each node in topological order, with the LLM's answer to final node directly translating to environment actions.In our experiments, we study the quality of in-context "reasoning" induced by different forms of prompts under the setting of the Crafter environment. Our experiments suggest that LLMs, when prompted with consistent chain-of-thought, have great potential in completing sophisticated high-level trajectories. Quantitatively, SPRING with GPT-4 outperforms all state-of-the-art RL baselines, trained for 1M steps, without any training. Finally, we show the potential of Crafter as a test bed for LLMs. Code at github.com/holmeswww/SPRING
Hybrid Search for Efficient Planning with Completeness Guarantees
Authors: Kalle Kujanpää, Joni K. Pajarinen, Alexander Ilin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Solving complex planning problems has been a long-standing challenge in computer science. Learning-based subgoal search methods have shown promise in tackling these problems, but they often suffer from a lack of completeness guarantees, meaning that they may fail to find a solution even if one exists. In this paper, we propose an efficient approach to augment a subgoal search method to achieve completeness in discrete action spaces. Specifically, we augment the high-level search with low-level actions to execute a multi-level (hybrid) search, which we call complete subgoal search. This solution achieves the best of both worlds: the practical efficiency of high-level search and the completeness of low-level search. We apply the proposed search method to a recently proposed subgoal search algorithm and evaluate the algorithm trained on offline data on complex planning problems. We demonstrate that our complete subgoal search not only guarantees completeness but can even improve performance in terms of search expansions for instances that the high-level could solve without low-level augmentations. Our approach makes it possible to apply subgoal-level planning for systems where completeness is a critical requirement.
Diversified Outlier Exposure for Out-of-Distribution Detection via Informative Extrapolation
Authors: Jianing Zhu, Yu Geng, Jiangchao Yao, Tongliang Liu, Gang Niu, Masashi Sugiyama, Bo Han
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Out-of-distribution (OOD) detection is important for deploying reliable machine learning models on real-world applications. Recent advances in outlier exposure have shown promising results on OOD detection via fine-tuning model with informatively sampled auxiliary outliers. However, previous methods assume that the collected outliers can be sufficiently large and representative to cover the boundary between ID and OOD data, which might be impractical and challenging. In this work, we propose a novel framework, namely, Diversified Outlier Exposure (DivOE), for effective OOD detection via informative extrapolation based on the given auxiliary outliers. Specifically, DivOE introduces a new learning objective, which diversifies the auxiliary distribution by explicitly synthesizing more informative outliers for extrapolation during training. It leverages a multi-step optimization method to generate novel outliers beyond the original ones, which is compatible with many variants of outlier exposure. Extensive experiments and analyses have been conducted to characterize and demonstrate the effectiveness of the proposed DivOE. The code is publicly available at: https://github.com/tmlr-group/DivOE.
Attacks on Online Learners: a Teacher-Student Analysis
Authors: Riccardo Giuseppe Margiotta, Sebastian Goldt, Guido Sanguinetti
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Machine learning models are famously vulnerable to adversarial attacks: small ad-hoc perturbations of the data that can catastrophically alter the model predictions. While a large literature has studied the case of test-time attacks on pre-trained models, the important case of attacks in an online learning setting has received little attention so far. In this work, we use a control-theoretical perspective to study the scenario where an attacker may perturb data labels to manipulate the learning dynamics of an online learner. We perform a theoretical analysis of the problem in a teacher-student setup, considering different attack strategies, and obtaining analytical results for the steady state of simple linear learners. These results enable us to prove that a discontinuous transition in the learner's accuracy occurs when the attack strength exceeds a critical threshold. We then study empirically attacks on learners with complex architectures using real data, confirming the insights of our theoretical analysis. Our findings show that greedy attacks can be extremely efficient, especially when data stream in small batches.
Delayed Algorithms for Distributed Stochastic Weakly Convex Optimization
Authors: Wenzhi Gao, Qi Deng
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper studies delayed stochastic algorithms for weakly convex optimization in a distributed network with workers connected to a master node.  Recently, Xu~et~al.~2022  showed that an inertial stochastic subgradient method   converges at a rate of $\mathcal{O}(\tau_{\text{max}}/\sqrt{K})$ which depends on the maximum information delay $\tau_{\text{max}}$. In this work, we show that the delayed stochastic subgradient method ($\texttt{DSGD}$) obtains a tighter convergence rate which depends on the expected delay $\bar{\tau}$. Furthermore, for an important class of composition weakly convex problems, we develop a new delayed stochastic prox-linear ($\texttt{DSPL}$) method in which the delays only affect the high-order term in the rate and hence,  are negligible after a certain number of $\texttt{DSPL}$  iterations.  In addition, we demonstrate the robustness of our proposed algorithms against arbitrary delays.  By incorporating a simple safeguarding step in both methods, we achieve convergence rates that depend solely on the number of workers, eliminating the effect of delays. Our numerical experiments further confirm the empirical superiority of our proposed methods.
Grounding Neural Inference with Satisfiability Modulo Theories
Authors: Zifan Wang, Saranya Vijayakumar, Kaiji Lu, Vijay Ganesh, Somesh Jha, Matt Fredrikson
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent techniques that integrate solver layers into Deep Neural Networks (DNNs) have shown promise in bridging a long-standing gap between inductive learning and symbolic reasoning techniques. In this paper we present a set of techniques for integrating Satisfiability Modulo Theories (SMT) solvers into the forward and backward passes of a deep network layer, called SMTLayer.Using this approach, one can encode rich domain knowledge into the network in the form of mathematical formulas.In the forward pass, the solver uses symbols produced by prior layers, along with these formulas, to construct inferences; in the backward pass, the solver informs updates to the network, driving it towards representations that are compatible with the solver's theory.Notably, the solver need not be differentiable. We implement SMTLayer as a Pytorch module, and our empirical results show that it leads to models that 1) require fewer training samples than conventional models, 2) that are robust to certain types of covariate shift, and 3) that ultimately learn representations that are consistent with symbolic knowledge, and thus naturally interpretable.
D$^2$CSG: Unsupervised Learning of Compact CSG Trees with Dual Complements and Dropouts
Authors: Fenggen Yu, Qimin Chen, Maham Tanveer, Ali Mahdavi Amiri, Hao Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present D$^2$CSG, a neural model composed of two dual and complementary network branches, with dropouts, for unsupervised learning of compact constructive solid geometry (CSG) representations of 3D CAD shapes. Our network is trained to reconstruct a 3D shape by a fixed-order assembly of quadric primitives, with both branches producing a union of primitive intersections or inverses. A key difference between D$^2$CSG and all prior neural CSG models is its dedicated residual branch to assemble the potentially complex shape complement, which is subtracted from an overall shape modeled by the cover branch. With the shape complements, our network is provably general, while the weight dropout further improves compactness of the CSG tree by removing redundant primitives. We demonstrate both quantitatively and qualitatively that D$^2$CSG produces compact CSG reconstructions with superior quality and more natural primitives than all existing alternatives, especially over complex and high-genus CAD shapes.
Fine-grained Late-interaction Multi-modal Retrieval for Retrieval Augmented Visual Question Answering
Authors: Weizhe Lin, Jinghong Chen, Jingbiao Mei, Alexandru Coca, Bill Byrne
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Knowledge-based Visual Question Answering (KB-VQA) requires VQA systems to utilize knowledge from external knowledge bases to answer visually-grounded questions. Retrieval-Augmented Visual Question Answering (RA-VQA), a strong framework to tackle KB-VQA, first retrieves related documents with Dense Passage Retrieval (DPR) and then uses them to answer questions. This paper proposes Fine-grained Late-interaction Multi-modal Retrieval (FLMR) which significantly improves knowledge retrieval in RA-VQA. FLMR addresses two major limitations in RA-VQA's retriever: (1) the image representations obtained via image-to-text transforms can be incomplete and inaccurate and (2) similarity scores between queries and documents are computed with one-dimensional embeddings, which can be insensitive to finer-grained similarities.FLMR overcomes these limitations by obtaining image representations that complement those from the image-to-text transform using a vision model aligned with an existing text-based retriever through a simple alignment network. FLMR also encodes images and questions using multi-dimensional embeddings to capture finer-grained similarities between queries and documents. FLMR significantly improves the original RA-VQA retriever's PRRecall@5 by approximately 8\%. Finally, we equipped RA-VQA with two state-of-the-art large multi-modal/language models to achieve $\sim62$% VQA score in the OK-VQA dataset.
Iteratively Learn Diverse Strategies with State Distance Information
Authors: Wei Fu, Weihua Du, Jingwei Li, Sunli Chen, Jingzhao Zhang, YI WU
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In complex reinforcement learning (RL) problems, policies with similar rewards may have substantially different behaviors. It remains a fundamental challenge to optimize rewards while also discovering as many diverse strategies as possible, which can be crucial in many practical applications. Our study examines two design choices for tackling this challenge, i.e., diversity measure and computation framework. First, we find that with existing diversity measures, visually indistinguishable policies can still yield high diversity scores. To accurately capture the behavioral difference, we propose to incorporate the state-space distance information into the diversity measure. In addition, we examine two common computation frameworks for this problem, i.e., population-based training (PBT) and iterative learning (ITR). We show that although PBT is the precise problem formulation, ITR can achieve comparable diversity scores with higher computation efficiency, leading to improved solution quality in practice. Based on our analysis, we further combine ITR with two tractable realizations of the state-distance-based diversity measures and develop a novel diversity-driven RL algorithm, State-based Intrinsic-reward Policy Optimization (SIPO), with provable convergence properties. We empirically examine SIPO across three domains from robot locomotion to multi-agent games. In all of our testing environments, SIPO consistently produces strategically diverse and human-interpretable policies that cannot be discovered by existing baselines.
Neural Fields with Hard Constraints of Arbitrary Differential Order
Authors: Fangcheng Zhong, Kyle Fogarty, Param Hanji, Tianhao Wu, Alejandro Sztrajman, Andrew Spielberg, Andrea Tagliasacchi, Petra Bosilj, Cengiz Oztireli
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: While deep learning techniques have become extremely popular for solving a broad range of optimization problems, methods to enforce hard constraints during optimization, particularly on deep neural networks, remain underdeveloped. Inspired by the rich literature on meshless interpolation and its extension to spectral collocation methods in scientific computing, we develop a series of approaches for enforcing hard constraints on neural fields, which we refer to as Constrained Neural Fields (CNF). The constraints can be specified as a linear operator applied to the neural field and its derivatives. We also design specific model representations and training strategies for problems where standard models may encounter difficulties, such as conditioning of the system, memory consumption, and capacity of the network when being constrained. Our approaches are demonstrated in a wide range of real-world applications. Additionally, we develop a framework that enables highly efficient model and constraint specification, which can be readily applied to any downstream task where hard constraints need to be explicitly satisfied during optimization.
Thinker: Learning to Plan and Act
Authors: Stephen Chung, Ivan Anokhin, David Krueger
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We propose the Thinker algorithm, a novel approach that enables reinforcement learning agents to autonomously interact with and utilize a learned world model. The Thinker algorithm wraps the environment with a world model and introduces new actions designed for interacting with the world model. These model-interaction actions enable agents to perform planning by proposing alternative plans to the world model before selecting a final action to execute in the environment. This approach eliminates the need for handcrafted planning algorithms by enabling the agent to learn how to plan autonomously and allows for easy interpretation of the agent's plan with visualization. We demonstrate the algorithm's effectiveness through experimental results in the game of Sokoban and the Atari 2600 benchmark, where the Thinker algorithm achieves state-of-the-art performance and competitive results, respectively. Visualizations of agents trained with the Thinker algorithm demonstrate that they have learned to plan effectively with the world model to select better actions. Thinker is the first work showing that an RL agent can learn to plan with a learned world model in complex environments.
Near-Optimal $k$-Clustering in the Sliding Window Model
Authors: David Woodruff, Peilin Zhong, Samson Zhou
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Clustering is an important technique for identifying structural information in large-scale data analysis, where the underlying dataset may be too large to store. In many applications, recent data can provide more accurate information and thus older data past a certain time is expired. The sliding window model captures these desired properties and thus there has been substantial interest in clustering in the sliding window model. In this paper, we give the first algorithm that achieves near-optimal $(1+\varepsilon)$-approximation to $(k,z)$-clustering in the sliding window model. Our algorithm uses $\frac{k}{\min(\varepsilon^4,\varepsilon^{2+z})}\,\text{polylog}\frac{n\Delta}{\varepsilon}$ words of space when the points are from $[\Delta]^d$, thus significantly improving on works by Braverman et. al. (SODA 2016), Borassi et. al. (NeurIPS 2021), and Epasto et. al. (SODA 2022).Along the way, we develop a data structure for clustering called an online coreset, which outputs a coreset not only for the end of a stream, but also for all prefixes of the stream. Our online coreset samples $\frac{k}{\min(\varepsilon^4,\varepsilon^{2+z})}\,\text{polylog}\frac{n\Delta}{\varepsilon}$ points from the stream. We then show that any online coreset requires $\Omega\left(\frac{k}{\varepsilon^2}\log n\right)$ samples, which shows a separation between the problem of constructing an offline coreset, i.e., constructing online coresets is strictly harder. Our results also extend to general metrics on $[\Delta]^d$ and are near-optimal in light of a $\Omega\left(\frac{k}{\varepsilon^{2+z}}\right)$ lower bound for the size of an offline coreset.
SynMob: Creating High-Fidelity Synthetic GPS Trajectory Dataset for Urban Mobility Analysis
Authors: Yuanshao Zhu, Yongchao Ye, Ying Wu, Xiangyu Zhao, James Yu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Urban mobility analysis has been extensively studied in the past decade using a vast amount of GPS trajectory data, which reveals hidden patterns in movement and human activity within urban landscapes. Despite its significant value, the availability of such datasets often faces limitations due to privacy concerns, proprietary barriers, and quality inconsistencies. To address these challenges, this paper presents a synthetic trajectory dataset with high fidelity, offering a general solution to these data accessibility issues. Specifically, the proposed dataset adopts a diffusion model as its synthesizer, with the primary aim of accurately emulating the spatial-temporal behavior of the original trajectory data. These synthesized data can retain the geo-distribution and statistical properties characteristic of real-world datasets. Through rigorous analysis and case studies, we validate the high similarity and utility between the proposed synthetic trajectory dataset and real-world counterparts. Such validation underscores the practicality of synthetic datasets for urban mobility analysis and advocates for its wider acceptance within the research community. Finally, we publicly release the trajectory synthesizer and datasets, aiming to enhance the quality and availability of synthetic trajectory datasets and encourage continued contributions to this rapidly evolving field. The dataset is released for public online availability https://github.com/Applied-Machine-Learning-Lab/SynMob.
Window-Based Distribution Shift Detection for Deep Neural Networks
Authors: Guy Bar-Shalom, Yonatan Geifman, Ran El-Yaniv
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: To deploy and operate deep neural models in production, the quality of their predictions, which might be contaminated benignly or manipulated maliciously by input distributional deviations, must be monitored and assessed. Specifically, we study the case of monitoring the healthy operation of a deep neural network (DNN) receiving a stream of data, with the aim of detecting input distributional deviations over which the quality of the network's predictions is potentially damaged. Using selective prediction principles, we propose a distribution deviation detection method for DNNs. The proposed method is derived from a tight coverage generalization bound computed over a sample of instances drawn from the true underlying distribution. Based on this bound, our detector continuously monitors the operation of the network over a test window and fires off an alarm whenever a deviation is detected. Our novel detection method performs on-par or better than the state-of-the-art, while consuming substantially lower computation time (five orders of magnitude reduction) and space complexity. Unlike previous methods, which require at least linear dependence on the size of the source distribution for each detection, rendering them inapplicable to ``Google-Scale'' datasets, our approach eliminates this dependence, making it suitable for real-world applications. Code is available at https://github.com/BarSGuy/Window-Based-Distribution-Shift-Detection.
Towards Label Position Bias in Graph Neural Networks
Authors: Haoyu Han, Xiaorui Liu, Feng Shi, MohamadAli Torkamani, Charu Aggarwal, Jiliang Tang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Graph Neural Networks (GNNs) have emerged as a powerful tool for semi-supervised node classification tasks. However, recent studies have revealed various biases in GNNs stemming from both node features and graph topology. In this work, we uncover a new bias - label position bias, which indicates that the node closer to the labeled nodes tends to perform better. We introduce a new metric, the Label Proximity Score, to quantify this bias, and find that it is closely related to performance disparities. To address the label position bias, we propose a novel optimization framework for learning a label position unbiased graph structure, which can be applied to existing GNNs. Extensive experiments demonstrate that our proposed method not only outperforms backbone methods but also significantly mitigates the issue of label position bias in GNNs.
Label Robust and Differentially Private Linear Regression: Computational and Statistical Efficiency
Authors: Xiyang Liu, Prateek Jain, Weihao Kong, Sewoong Oh, Arun Suggala
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study the canonical problem of linear regression under $(\varepsilon,\delta)$-differential privacy when the datapoints are sampled i.i.d.~from a distribution and a fraction of response variables are adversarially corrupted. We provide the first provably efficient -- both computationally and statistically -- method for this problem, assuming standard assumptions on the data distribution. Our algorithm is a variant of the popular differentially private stochastic gradient descent (DP-SGD) algorithm with two key innovations: a full-batch gradient descent to improve sample complexity and a novel adaptive clipping to guarantee robustness. Our method requires only linear time in input size, and still matches the information theoretical optimal sample complexity up to a data distribution dependent condition number factor.  Interestingly, the same algorithm, when applied to a setting where there is no adversarial corruption, still improves upon the existing state-of-the-art and achieves a near optimal sample complexity.