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Deep Learning · Everything Else

Minyoung Park, MIRAE DO, Yeon Jae Shin, Jaeseok Yoo, Jongkwang Hong, Joongrock Kim, Chul Lee

Advanced techniques using Neural Radiance Fields (NeRF), Signed Distance Fields (SDF), and Occupancy Fields have recently emerged as solutions for 3D indoor scene reconstruction. We introduce a novel two-phase learning approach, H2O-SDF, that discriminates between object and non-object regions within indoor environments. This method achieves a nuanced balance, carefully preserving the geometric integrity of room layouts while also capturing intricate surface details of specific objects. A cornerstone of our two-phase learning framework is the introduction of the Object Surface Field (OSF), a novel concept designed to mitigate the persistent vanishing gradient problem that has previously hindered the capture of high-frequency details in other methods. Our proposed approach is validated through several experiments that include ablation studies.

Deep Learning · Robustness

Yu-Yu Wu, Hung-Jui Wang, Shang-Tse Chen

In standard adversarial training, models are optimized to fit invariant one-hot labels for adversarial data when the perturbations are within allowable budgets. However, the overconfident target harms generalization and causes the problem of robust overfitting. To address this issue and enhance adversarial robustness, we analyze the characteristics of robust models and identify that robust models tend to produce smoother and well-calibrated outputs. Based on the observation, we propose a simple yet effective method, Annealing Self-Distillation Rectification (ADR), which generates soft labels as a better guidance mechanism that reflects the underlying distribution of data. By utilizing ADR, we can obtain rectified labels that improve model robustness without the need for pre-trained models or extensive extra computation. Moreover, our method facilitates seamless plug-and-play integration with other adversarial training techniques by replacing the hard labels in their objectives. We demonstrate the efficacy of ADR through extensive experiments and strong performances across datasets.

Deep Learning · Sequential Models, Time series

Ilan Naiman, N. Benjamin Erichson, Pu Ren, Michael W Mahoney, Omri Azencot

Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs).However, GANs are unstable during training, and they can suffer from mode collapse. While variational autoencoders (VAEs) are known to be more robust to the these issues, they are (surprisingly) less considered for time series generation. In this work, we introduce Koopman VAE (KoVAE), a new generative framework that is based on a novel design for the model prior, and that can be optimized for either regular and irregular training data. Inspired by Koopman theory, we represent the latent conditional prior dynamics using a linear map. Our approach enhances generative modeling with two desired features: (i) incorporating domain knowledge can be achieved by leveraging spectral tools that prescribe constraints on the eigenvalues of the linear map; and (ii) studying the qualitative behavior and stability of the system can be performed using tools from dynamical systems theory. Our results show that KoVAE outperforms state-of-the-art GAN and VAE methods across several challenging synthetic and real-world time series generation benchmarks. Whether trained on regular or irregular data, KoVAE generates time series that improve both discriminative and predictive metrics. We also present visual evidence suggesting that KoVAE learns probability density functions that better approximate the empirical ground truth distribution.

Deep Learning · Large Language Models

Michihiro Yasunaga, Xinyun Chen, Yujia Li, Panupong Pasupat, Jure Leskovec, Percy Liang, Ed H. Chi, Denny Zhou

Chain-of-thought (CoT) prompting for language models demonstrates impressive performance across reasoning tasks, but typically needs labeled exemplars of the reasoning process. In this work, we introduce a new prompting approach, analogical prompting, designed to automatically guide the reasoning process of large language models. Inspired by analogical reasoning, a cognitive process in which humans draw from relevant past experiences to tackle new problems, our approach prompts language models to self-generate relevant exemplars or knowledge in the context, before proceeding to solve the given problem. This method presents several advantages: it obviates the need for labeling or retrieving exemplars, offering generality and convenience; it can also tailor the generated exemplars and knowledge to each problem, offering adaptability. Experimental results show that our approach outperforms 0-shot CoT and manual few-shot CoT in a variety of reasoning tasks, including math problem solving in GSM8K and MATH, code generation in Codeforces, and other reasoning tasks in BIG-Bench.

Applications · Neuroscience, Cognitive Science

Chengrui Li, Soon Ho Kim, Chris Rodgers, Hannah Choi, Anqi Wu

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional connectivity. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional connectivity can change over time. To model dynamically changing functional connectivity, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional connectivities are shaped and confined by the underlying anatomical connectome. Here, we propose two novel prior-informed state-switching GLMs, called Gaussian HMM-GLM (Gaussian prior) and one-hot HMM-GLM (Gumbel-Softmax one-hot prior). We show that the learned prior should capture the state-invariant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood, and enhance the interpretability of interaction patterns and hidden states when applied to real neural data. The code is available at \url{https://github.com/JerrySoybean/onehot-hmmglm}.

Probabilistic Methods · Bayesian Models and Methods

Aidan Scannell, Riccardo Mereu, Paul Chang, Ella Tamir, Joni Pajarinen, Arno Solin

Sequential learning paradigms pose challenges for gradient-based deep learning due to difficulties incorporating new data and retaining prior knowledge. While Gaussian processes elegantly tackle these problems, they struggle with scalability and handling rich inputs, such as images. To address these issues, we introduce a technique that converts neural networks from weight space to function space, through a dual parameterization. Our parameterization offers: (*i*) a way to scale function-space methods to large data sets via sparsification, (*ii*) retention of prior knowledge when access to past data is limited, and (*iii*) a mechanism to incorporate new data without retraining. Our experiments demonstrate that we can retain knowledge in continual learning and incorporate new data efficiently. We further show its strengths in uncertainty quantification and guiding exploration in model-based RL. Further information and code is available on the project website.

Deep Learning · Large Language Models

Hiroki Furuta, Kuang-Huei Lee, Ofir Nachum, Yutaka Matsuo, Aleksandra Faust, Shixiang Gu, Izzeddin Gur

The progress of autonomous web navigation has been hindered by the dependence on billions of exploratory interactions via online reinforcement learning, and domain-specific model designs that make it difficult to leverage generalization from rich out-of-domain data.In this work, we study data-driven offline training for web agents with vision-language foundation models.We propose an instruction-following multimodal agent, WebGUM, that observes both webpage screenshots and HTML pages and outputs web navigation actions, such as click and type.WebGUM is trained by jointly finetuning an instruction-finetuned language model and a vision encoder with temporal and local perception on a large corpus of demonstrations.We empirically demonstrate this recipe improves the agent's ability of grounded multimodal perception, HTML comprehension, and multi-step reasoning, outperforming prior works by a significant margin. On the MiniWoB, we improve over the previous best offline methods by more than 45.8%, even outperforming online-finetuned SoTA, humans, and GPT-4-based agent. On the WebShop benchmark, our 3-billion-parameter model achieves superior performance to the existing SoTA, PaLM-540B.Furthermore, WebGUM exhibits strong positive transfer to the real-world planning tasks on the Mind2Web.We also collect 347K high-quality demonstrations using our trained models, 38 times larger than prior work, and make them available to promote future research in this direction.

Deep Learning · Everything Else

Satwik Bhattamishra, Arkil Patel, Phil Blunsom, Varun Kanade

In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can match the performance of gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a *teaching sequence*, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement *two distinct* algorithms to solve a *single* task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.

Deep Learning · Generative Models and Autoencoders

Long Lian, Baifeng Shi, Adam Yala, trevor darrell, Boyi Li

Text-conditioned diffusion models have emerged as a promising tool for neural video generation. However, current models still struggle with intricate spatiotemporal prompts and often generate restricted or incorrect motion. To address these limitations, we introduce LLM-grounded Video Diffusion (LVD). Instead of directly generating videos from the text inputs, LVD first leverages a large language model (LLM) to generate dynamic scene layouts based on the text inputs and subsequently uses the generated layouts to guide a diffusion model for video generation. We show that LLMs are able to understand complex spatiotemporal dynamics from text alone and generate layouts that align closely with both the prompts and the object motion patterns typically observed in the real world. We then propose to guide video diffusion models with these layouts by adjusting the attention maps. Our approach is training-free and can be integrated into any video diffusion model that admits classifier guidance. Our results demonstrate that LVD significantly outperforms its base video diffusion model and several strong baseline methods in faithfully generating videos with the desired attributes and motion patterns.

Deep Learning · Graph Neural Networks

Zhikai Chen, Haitao Mao, Hongzhi Wen, Haoyu Han, Wei Jin, Haiyang Zhang, Hui Liu, Jiliang Tang

In recent years, there have been remarkable advancements in node classification achieved by Graph Neural Networks (GNNs). However, they necessitate abundant high-quality labels to ensure promising performance. In contrast, Large Language Models (LLMs) exhibit impressive zero-shot proficiency on text-attributed graphs. Yet, they face challenges in efficiently processing structural data and suffer from high inference costs. In light of these observations, this work introduces a label-free node classification on graphs with LLMs pipeline, LLM-GNN. It amalgamates the strengths of both GNNs and LLMs while mitigating their limitations. Specifically, LLMs are leveraged to annotate a small portion of nodes and then GNNs are trained on LLMs' annotations to make predictions for the remaining large portion of nodes. The implementation of LLM-GNN faces a unique challenge: how can we actively select nodes for LLMs to annotate and consequently enhance the GNN training? How can we leverage LLMs to obtain annotations of high quality, representativeness, and diversity, thereby enhancing GNN performance with less cost?To tackle this challenge, we develop an annotation quality heuristic and leverage the confidence scores derived from LLMs to advanced node selection. Comprehensive experimental results validate the effectiveness of LLM-GNN. In particular, LLM-GNN can achieve an accuracy of 74.9\% on a vast-scale dataset \products with a cost less than 1 dollar.

Reinforcement Learning · Planning

Mingde Zhao, Safa Alver, Harm Seijen, Romain Laroche, Doina Precup, Yoshua Bengio

Inspired by human conscious planning, we propose Skipper, a model-based reinforcement learning framework utilizing spatio-temporal abstractions to generalize better in novel situations. It automatically decomposes the given task into smaller, more manageable subtasks, and thus enables sparse decision-making and focused computation on the relevant parts of the environment. The decomposition relies on the extraction of an abstracted proxy problem represented as a directed graph, in which vertices and edges are learned end-to-end from hindsight. Our theoretical analyses provide performance guarantees under appropriate assumptions and establish where our approach is expected to be helpful. Generalization-focused experiments validate Skipper’s significant advantage in zero-shot generalization, compared to some existing state-of-the-art hierarchical planning methods.

Deep Learning · Graph Neural Networks

Beatrice Bevilacqua, Moshe Eliasof, Eli Meirom, Bruno Ribeiro, Haggai Maron

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on many subgraphs. In this paper, we consider the problem of learning to select a small subset of the large set of possible subgraphs in a data-driven fashion. We first motivate the problem by proving that there are families of WL-indistinguishable graphs for which there exist efficient subgraph selection policies: small subsets of subgraphs that can already identify all the graphs within the family. We then propose a new approach, called _Policy-Learn_, that learns how to select subgraphs in an iterative manner. We prove that, unlike popular random policies and prior work addressing the same problem, our architecture is able to learn the efficient policies mentioned above. Our experimental results demonstrate that _Policy-Learn_ outperforms existing baselines across a wide range of datasets.

Reinforcement Learning

Zhiyu Mei, Wei Fu, Jiaxuan Gao, Guangju Wang, Huanchen Zhang, Yi Wu

The ever-growing complexity of reinforcement learning (RL) tasks demands a distributed system to efficiently generate and process a massive amount of data. However, existing open-source libraries suffer from various limitations, which impede their practical use in challenging scenarios where large-scale training is necessary. In this paper, we present a novel abstraction on the dataflows of RLtraining, which unifies diverse RL training applications into a general framework. Following this abstraction, we develop a scalable, efficient, and extensible distributed RL system called ReaLly Scalable RL (SRL), which allows efficient and massively parallelized training and easy development of customized algorithms. Our evaluation shows that SRL outperforms existing academic libraries, reaching at most 21x higher training throughput in a distributed setting. On learning performance, beyond performing and scaling well on common RL benchmarks with different RL algorithms, SRL can reproduce the same solution in the challenging hide-and-seek environment as reported by OpenAI with up to 5x speedup in wallclock time. Notably, SRL is the first in the academic community to perform RL experiments at a large scale with over 15k CPU cores. SRL anonymous repository is available at: https://anonymous.4open.science/r/srl-1E45/.

Applications · Computer Vision

Zipeng Wang, Xuehui Yu, Xumeng Han, Wenwen Yu, Zhixun Huang, Jianbin Jiao, Zhenjun Han

Point-level Supervised Instance Segmentation (PSIS) aims to enhance the applicability and scalability of instance segmentation by utilizing low-cost yet instance-informative annotations. Existing PSIS methods usually rely on positional information to distinguish objects, but predicting precise boundaries remains challenging due to the lack of contour annotations. Nevertheless, weakly supervised semantic segmentation methods are proficient in utilizing intra-class feature consistency to capture the boundary contours of the same semantic regions. In this paper, we design a Mutual Distillation Module (MDM) to leverage the complementary strengths of both instance position and semantic information and achieve accurate instance-level object perception. The MDM consists of Semantic to Instance (S2I) and Istance to Semantic (I2S). S2I is guided by the precise boundaries of semantic regions to learn the association between annotated points and instance contours. I2S leverages discriminative relationships between instances to facilitate the differentiation of various objects within the semantic map. Extensive experiments substantiate the efficacy of MDM in fostering the synergy between instance and semantic information, consequently improving the quality of instance-level object representations. Our method achieves 55.7 mAP50 and 17.6 mAP on the PASCAL VOC and MS COCO datasets, significantly outperforming recent PSIS methods and several box-supervised instance segmentation competitors.

Theory · Game Theory

Christian Fabian, Kai Cui, Heinz Koeppl

Learning the behavior of large agent populations is an important task for numerous research areas. Although the field of multi-agent reinforcement learning (MARL) has made significant progress towards solving these systems, solutions for many agents often remain computationally infeasible and lack theoretical guarantees. Mean Field Games (MFGs) address both of these issues and can be extended to Graphon MFGs (GMFGs) to include network structures between agents. Despite their merits, the real world applicability of GMFGs is limited by the fact that graphons only capture dense graphs. Since most empirically observed networks show some degree of sparsity, such as power law graphs, the GMFG framework is insufficient for capturing these network topologies. Thus, we introduce the novel concept of Graphex MFGs (GXMFGs) which builds on the graph theoretical concept of graphexes. Graphexes are the limiting objects to sparse graph sequences that also have other desirable features such as the small world property. Learning equilibria in these games is challenging due to the rich and sparse structure of the underlying graphs. To tackle these challenges, we design a new learning algorithm tailored to the GXMFG setup. This hybrid graphex learning approach leverages that the system mainly consists of a highly connected core and a sparse periphery. After defining the system and providing a theoretical analysis, we state our learning approach and demonstrate its learning capabilities on both synthetic graphs and real-world networks. This comparison shows that our GXMFG learning algorithm successfully extends MFGs to a highly relevant class of hard, realistic learning problems that are not accurately addressed by current MARL and MFG methods.

Reinforcement Learning · Batch/Offline

Alizée Pace, Hugo Yèche, Bernhard Schoelkopf, Gunnar Ratsch, Guy Tennenholtz

A prominent challenge of offline reinforcement learning (RL) is the issue of hidden confounding: unobserved variables may influence both the actions taken by the agent and the observed outcomes. Hidden confounding can compromise the validity of any causal conclusion drawn from data and presents a major obstacle to effective offline RL. In the present paper, we tackle the problem of hidden confounding in the nonidentifiable setting. We propose a definition of uncertainty due to hidden confounding bias, termed delphic uncertainty, which uses variation over world models compatible with the observations, and differentiate it from the well-known epistemic and aleatoric uncertainties. We derive a practical method for estimating the three types of uncertainties, and construct a pessimistic offline RL algorithm to account for them. Our method does not assume identifiability of the unobserved confounders, and attempts to reduce the amount of confounding bias. We demonstrate through extensive experiments and ablations the efficacy of our approach on a sepsis management benchmark, as well as on electronic health records. Our results suggest that nonidentifiable hidden confounding bias can be mitigated to improve offline RL solutions in practice.

Deep Learning · Large Language Models

Zecheng Tang, Chenfei Wu, Juntao Li, Nan Duan

Graphic layout generation, a growing research field, plays a significant role in user engagement and information perception. Existing methods primarily treat layout generation as a numerical optimization task, focusing on quantitative aspects while overlooking the semantic information of layout, such as the relationship between each layout element. In this paper, we propose LayoutNUWA, the first model that treats layout generation as a code generation task to enhance semantic information and harness the hidden layout expertise of large language models~(LLMs). Concretely, we develop a Code Instruct Tuning (CIT) approach comprising three interconnected modules: 1) the Code Initialization (CI) module quantifies the numerical conditions and initializes them as HTML code with strategically placed masks; 2) the Code Completion (CC) module employs the formatting knowledge of LLMs to fill in the masked portions within the HTML code; 3) the Code Rendering (CR) module transforms the completed code into the final layout output, ensuring a highly interpretable and transparent layout generation procedure that directly maps code to a visualized layout. We attain significant state-of-the-art performance (even over 50\% improvements compared to previous works) on multiple datasets, showcasing the strong capabilities of LayoutNUWA.

Tianle Cai, Xuezhi Wang, Tengyu Ma, Xinyun Chen, Denny Zhou

Recent research has highlighted the potential of large language models (LLMs)to improve their problem-solving capabilities with the aid of suitable externaltools. In our work, we further advance this concept by introducing a closed-loop framework, referred to as LLMs A s Tool Makers (LATM), where LLMscreate their own reusable tools for problem-solving. Our approach consists of twophases: 1) tool making: an LLM acts as the tool maker that crafts tools for a setof tasks, where a tool is implemented as a Python utility function. 2) tool using:another LLM acts as the tool user, which applies the tool built by the tool makerfor problem-solving. The tool user can be either the same or a different LLMfrom the tool maker. On the problem-solving server side, tool-making enablescontinual tool generation and caching as new requests emerge. This frameworkenables subsequent requests to access cached tools via their corresponding APIs,enhancing the efficiency of task resolution. Beyond enabling LLMs to create theirown tools, our framework also uncovers intriguing opportunities to optimize theserving cost of LLMs: Recognizing that tool-making requires more sophisticatedcapabilities, we assign this task to a powerful, albeit resource-intensive, model.Conversely, the simpler tool-using phase is delegated to a lightweight model. Thisstrategic division of labor allows the once-off cost of tool-making to be spreadover multiple instances of tool-using, significantly reducing average costs whilemaintaining strong performance. Furthermore, our method offers a functionalcache through the caching and reuse of tools, which stores the functionality ofa class of requests instead of the natural language responses from LLMs, thusextending the applicability of the conventional cache mechanism. We evaluateour approach across various complex reasoning tasks, including Big-Bench tasks.With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM demonstratesperformance equivalent to using GPT-4 for both roles, but with a significantlyreduced inference cost.

Deep Learning · Large Language Models

Yuchen Zhuang, Xiang Chen, Tong Yu, Saayan Mitra, Victor Bursztyn, Ryan Rossi, Somdeb Sarkhel, Chao Zhang

Large language models (LLMs) have demonstrated powerful decision-making and planning capabilities in solving complicated real-world problems. LLM-based autonomous agents can interact with diverse tools (e.g., functional APIs) and generate solution plans that execute a series of API function calls in a step-by-step manner. The multitude of candidate API function calls significantly expands the action space, amplifying the critical need for efficient action space navigation. However, existing methods either struggle with unidirectional exploration in expansive action spaces, trapped into a locally optimal solution, or suffer from exhaustively traversing all potential actions, causing inefficient navigation. To address these issues, we propose ToolChain*, an efficient tree search-based planning algorithm for LLM-based agents. It formulates the entire action space as a decision tree, where each node represents a possible API function call involved in a solution plan. By incorporating the A$^*$ search algorithm with task-specific cost function design, it efficiently prunes high-cost branches that may involve incorrect actions, identifying the most low-cost valid path as the solution. Extensive experiments on multiple tool-use and reasoning tasks demonstrate that ToolChain* efficiently balances exploration and exploitation within an expansive action space. It outperforms state-of-the-art baselines on planning and reasoning tasks by 3.1% and 3.5% on average while requiring 7.35x and 2.31x less time, respectively.

Deep Learning · Robustness

Manley Roberts, Himanshu Thakur, Christine Herlihy, Colin White, Samuel Dooley

Recent claims about the impressive abilities of large language models (LLMs) are often supported by evaluating publicly available benchmarks. Since LLMs train on wide swaths of the internet, this practice raises concerns of data contamination, i.e., evaluating on examples that are explicitly or implicitly included in the training data. Data contamination remains notoriously challenging to measure and mitigate, even with partial attempts like controlled experimentation of training data, canary strings, or embedding similarities. In this work, we conduct the first thorough longitudinal analysis of data contamination in LLMs by using the natural experiment of training cutoffs in GPT models to look at benchmarks released over time.Specifically, we consider two code/mathematical problem-solving datasets, Codeforces and Project Euler, and find statistically significant trends among LLM pass rate vs. GitHub popularity and release date that provide strong evidence of contamination. By open-sourcing our dataset, raw results, and evaluation framework, our work paves the way for rigorous analyses of data contamination in modern models. We conclude with a discussion of best practices and future steps for publicly releasing benchmark in the age of LLMs which train on webscale data.