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Reinforcement Learning · Deep RL

Borja G. Leon, Francesco Riccio, Kaushik Subramanian, Peter Wurman, Peter Stone

The ability to approach the same problem from different angles is a cornerstone of human intelligence that leads to robust solutions and effective adaptation to problem variations. In contrast, current RL methodologies tend to lead to policies that settle on a single solution to a given problem, making them brittle to problem variations. Replicating human flexibility in reinforcement learning agents is the challenge that we explore in this work. We tackle this challenge by extending state-of-the-art approaches to introduce DUPLEX, a method that explicitly defines a diversity objective with constraints and makes robust estimates of policies’ expected behavior through successor features. The trained agents can (i) learn a diverse set of near-optimal policies in complex highly-dynamic environments and (ii) exhibit competitive and diverse skills in out-of-distribution (OOD) contexts. Empirical results indicate that DUPLEX improves over previous methods and successfully learns competitive driving styles in a hyper-realistic simulator (i.e., GranTurismo ™ 7) as well as diverse and effective policies in several multi-context robotics MuJoCo simulations with OOD gravity forces and height limits. To the best of our knowledge, our method is the first to achieve diverse solutions in complex driving simulators and OOD robotic contexts. DUPLEX agents demonstrating diverse behaviors can be found at https://ai.sony/publications/Discovering-Creative-Behaviors-through-DUPLEX-Diverse-Universal-Features-for-Policy-Exploration/.

Social Aspects

Elliot Meyerson, Olivier Francon, Darren Sargent, Babak Hodjat, Risto Miikkulainen

Solving societal problems on a global scale requires the collection and processing of ideas and methods from diverse sets of international experts. As the number and diversity of human experts increase, so does the likelihood that elements in this collective knowledge can be combined and refined to discover novel and better solutions. However, it is difficult to identify, combine, and refine complementary information in an increasingly large and diverse knowledge base. This paper argues that artificial intelligence (AI) can play a crucial role in this process. An evolutionary AI framework, termed RHEA, fills this role by distilling knowledge from diverse models created by human experts into equivalent neural networks, which are then recombined and refined in a population-based search. The framework was implemented in a formal synthetic domain, demonstrating that it is transparent and systematic. It was then applied to the results of the XPRIZE Pandemic Response Challenge, in which over 100 teams of experts across 23 countries submitted models based on diverse methodologies to predict COVID-19 cases and suggest non-pharmaceutical intervention policies for 235 nations, states, and regions across the globe. Building upon this expert knowledge, by recombining and refining the 169 resulting policy suggestion models, RHEA discovered a broader and more effective set of policies than either AI or human experts alone, as evaluated based on real-world data. The results thus suggest that AI can play a crucial role in realizing the potential of human expertise in global problem-solving.

Applications

Bin Lei, Yi Zhang, Shan Zuo, Ali Payani, Caiwen Ding

Recent advancements in large language models, such as GPT-4, have demonstrated remarkable capabilities in processing standard queries. Despite these advancements, their performance substantially declines in advanced mathematical problems requiring complex, multi-step logical reasoning. To enhance their inferential capabilities, current research has delved into prompting engineering, exemplified by methodologies such as the Tree of Thought and Graph of Thought.Nonetheless, these existing approaches encounter two significant limitations. Firstly, their effectiveness in tackling complex mathematical problems is somewhat constrained. Secondly, the necessity to design distinct prompts for individual problems hampers their generalizability.In response to these limitations, this paper introduces the Multi-Agent System for conditional Mining (MACM) prompting method. It not only resolves intricate mathematical problems but also demonstrates strong generalization capabilities across various mathematical contexts.With the assistance of MACM, the accuracy of GPT-4 Turbo on the most challenging level five mathematical problems in the MATH dataset increase from $\mathbf{54.68\\%} \text{ to } \mathbf{76.73\\%}$.

Robotics

Maximilian Stölzle, Cosimo Della Santina

Even though a variety of methods have been proposed in the literature, efficient and effective latent-space control (i.e., control in a learned low-dimensional space) of physical systems remains an open challenge.We argue that a promising avenue is to leverage powerful and well-understood closed-form strategies from control theory literature in combination with learned dynamics, such as potential-energy shaping.We identify three fundamental shortcomings in existing latent-space models that have so far prevented this powerful combination: (i) they lack the mathematical structure of a physical system, (ii) they do not inherently conserve the stability properties of the real systems, (iii) these methods do not have an invertible mapping between input and latent-space forcing.This work proposes a novel Coupled Oscillator Network (CON) model that simultaneously tackles all these issues. More specifically, (i) we show analytically that CON is a Lagrangian system - i.e., it possesses well-defined potential and kinetic energy terms. Then, (ii) we provide formal proof of global Input-to-State stability using Lyapunov arguments.Moving to the experimental side, we demonstrate that CON reaches SoA performance when learning complex nonlinear dynamics of mechanical systems directly from images.An additional methodological innovation contributing to achieving this third goal is an approximated closed-form solution for efficient integration of network dynamics, which eases efficient training.We tackle (iii) by approximating the forcing-to-input mapping with a decoder that is trained to reconstruct the input based on the encoded latent space force.Finally, we leverage these three properties and show that they enable latent-space control. We use an integral-saturated PID with potential force compensation and demonstrate high-quality performance on a soft robot using raw pixels as the only feedback information.

Generative Models · In Context Learning

Aniket Didolkar, Anirudh Goyal, Nan Rosemary Ke, Siyuan Guo, Michal Valko, Timothy Lillicrap, Danilo Jimenez Rezende, Yoshua Bengio, Michael Mozer, Sanjeev Arora

\emph{Metacognitive knowledge} refers to humans' intuitive knowledge of their own thinking and reasoning processes. Today's best LLMs clearly possess some reasoning processes. The paper gives evidence that they also have metacognitive knowledge, including ability to name skills and procedures to apply given a task. We explore this primarily in context of math reasoning, developing a prompt-guided interaction procedure to get a powerful LLM to assign sensible skill labels to math questions, followed by having it perform semantic clustering to obtain coarser families of skill labels. These coarse skill labels look interpretable to humans.To validate that these skill labels are meaningful and relevant to the LLM's reasoning processes we perform the following experiments. (a) We ask GPT-4 to assign skill labels to training questions in math datasets GSM8K and MATH. (b) When using an LLM to solve the test questions, we present it with the full list of skill labels and ask it to identify the skill needed. Then it is presented with randomly selected exemplar solved questions associated with that skill label. This improves accuracy on GSM8k and MATH for several strong LLMs, including code-assisted models. The methodology presented is domain-agnostic, even though this article applies it to math problems.

Generative Models · Misc

Ricardo Dominguez-Olmedo, Moritz Hardt, Celestine Mendler-Dünner

Surveys have recently gained popularity as a tool to study large language models. By comparing models’ survey responses to those of different human reference populations, researchers aim to infer the demographics, political opinions, or values best represented by current language models. In this work, we critically examine language models' survey responses on the basis of the well-established American Community Survey by the U.S. Census Bureau. Evaluating 43 different language models using de-facto standard prompting methodologies, we establish two dominant patterns. First, models' responses are governed by ordering and labeling biases, for example, towards survey responses labeled with the letter “A”. Second, when adjusting for these systematic biases through randomized answer ordering, models across the board trend towards uniformly random survey responses, irrespective of model size or training data. As a result, models consistently appear to better represent subgroups whose aggregate statistics are closest to uniform for the survey under consideration, leading to potentially misguided conclusions about model alignment.

Optimization · Discrete and Combinatorial Optimization

Hengyuan Ma, Wenlian Lu, Jianfeng Feng

Combinatorial optimization problems are widespread but inherently challenging due to their discrete nature. The primary limitation of existing methods is that they can only access a small fraction of the solution space at each iteration, resulting in limited efficiency for searching the global optimal. To overcome this challenge, diverging from conventional efforts of expanding the solver's search scope, we focus on enabling information to actively propagate to the solver through heat diffusion. By transforming the target function while preserving its optima, heat diffusion facilitates information flow from distant regions to the solver, providing more efficient navigation. Utilizing heat diffusion, we propose a framework for solving general combinatorial optimization problems. The proposed methodology demonstrates superior performance across a range of the most challenging and widely encountered combinatorial optimizations. Echoing recent advancements in harnessing thermodynamics for generative artificial intelligence, our study further reveals its significant potential in advancing combinatorial optimization.

Computer Vision

Zhaoliang Zhang, Tianchen Song, Yongjae Lee, Li Yang, Cheng Peng, Rama Chellappa, Deliang Fan

Recently, 3D Gaussian Splatting (3DGS) has become one of the mainstream methodologies for novel view synthesis (NVS) due to its high quality and fast rendering speed. However, as a point-based scene representation, 3DGS potentially generates a large number of Gaussians to fit the scene, leading to high memory usage. Improvements that have been proposed require either an empirical pre-set pruning ratio or importance score threshold to prune the point cloud. Such hyperparameters require multiple rounds of training to optimize and achieve the maximum pruning ratio while maintaining the rendering quality for each scene. In this work, we propose learning-to-prune 3DGS (LP-3DGS), where a trainable binary mask is applied to the importance score to automatically find a favorable pruning ratio. Instead of using the traditional straight-through estimator (STE) method to approximate the binary mask gradient, we redesign the masking function to leverage the Gumbel-Sigmoid method, making it differentiable and compatible with the existing training process of 3DGS. Extensive experiments have shown that LP-3DGS consistently achieves a good balance between efficiency and high quality.

Theory · Reinforcement Learning and Planning

Pietro Novelli, Marco Pratticò, Massimiliano Pontil, Carlo Ciliberto

Policy Mirror Descent (PMD) is a powerful and theoretically sound methodology for sequential decision-making. However, it is not directly applicable to Reinforcement Learning (RL) due to the inaccessibility of explicit action-value functions. We address this challenge by introducing a novel approach based on learning a world model of the environment using conditional mean embeddings. Leveraging tools from operator theory we derive a closed-form expression of the action-value function in terms of the world model via simple matrix operations. Combining these estimators with PMD leads to POWR, a new RL algorithm for which we prove convergence rates to the global optimum. Preliminary experiments in finite and infinite state settings support the effectiveness of our method.

Generative Models · New Approaches

Keyu Tian, Yi Jiang, Zehuan Yuan, BINGYUE PENG, Liwei Wang

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes GPT-style AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.73, inception score (IS) from 80.4 to 350.2, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

Probabilistic Methods

David Berghaus, Kostadin Cvejoski, Patrick Seifner, César Ali Ojeda Marin, Ramsés J. Sánchez

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for *zero-shot inference* of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observations. Second, a neural recognition model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that *one and the same* (pretrained) recognition model can infer, *in a zero-shot fashion*, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are trained on the target datasets.Our pretrained model is available online.

Optimization · Optimization and Learning under Uncertainty

Jose Pablo Folch, Calvin Tsay, Robert Lee, Behrang Shafei, Weronika Ormaniec, Andreas Krause, Mark van der Wilk, Ruth Misener, Mojmir Mutny

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in particular, the search space of the next query may depend on previous ones. Example challenges arise in the physical sciences in the form of local movement constraints, required monotonicity in certain variables, and transitions influencing the accuracy of measurements. Altogether, such *transition constraints* necessitate a form of planning. This work extends classical Bayesian optimization via the framework of Markov Decision Processes. We iteratively solve a tractable linearization of our utility function using reinforcement learning to obtain a policy that plans ahead for the entire horizon. This is a parallel to the optimization of an *acquisition function in policy space*. The resulting policy is potentially history-dependent and non-Markovian. We showcase applications in chemical reactor optimization, informative path planning, machine calibration, and other synthetic examples.

Jiawen Zhang, Xumeng Wen, Zhenwei Zhang, Shun Zheng, Jia Li, Jiang Bian

Delivering precise point and distributional forecasts across a spectrum of prediction horizons represents a significant and enduring challenge in the application of time-series forecasting within various industries.Prior research on developing deep learning models for time-series forecasting has often concentrated on isolated aspects, such as long-term point forecasting or short-term probabilistic estimations. This narrow focus may result in skewed methodological choices and hinder the adaptability of these models to uncharted scenarios.While there is a rising trend in developing universal forecasting models, a thorough understanding of their advantages and drawbacks, especially regarding essential forecasting needs like point and distributional forecasts across short and long horizons, is still lacking.In this paper, we present ProbTS, a benchmark tool designed as a unified platform to evaluate these fundamental forecasting needs and to conduct a rigorous comparative analysis of numerous cutting-edge studies from recent years.We dissect the distinctive data characteristics arising from disparate forecasting requirements and elucidate how these characteristics can skew methodological preferences in typical research trajectories, which often fail to fully accommodate essential forecasting needs.Building on this, we examine the latest models for universal time-series forecasting and discover that our analyses of methodological strengths and weaknesses are also applicable to these universal models.Finally, we outline the limitations inherent in current research and underscore several avenues for future exploration.

Reinforcement Learning · Deep RL

Haozhe Chen, Ang Li, Ethan Che, Jing Dong, Tianyi Peng, Hongseok Namkoong

Queuing network control allows allocation of scarce resources to manage congestion, a fundamental problem in manufacturing, communications, and healthcare. Compared to standard RL problems, queueing problems are distinguished by unique challenges: i) a system operating in continuous time, ii) high stochasticity, and iii) long horizons over which the system can become unstable (exploding delays). To provide the empirical foundations for methodological development tackling these challenges, we present an open-sourced queueing simulation framework, QGym, that benchmark queueing policies across realistic problem instances. Our modular framework allows the researchers to build on our initial instances, which provide a wide range of environments including parallel servers, criss-cross, tandem, and re-entrant networks, as well as a realistically calibrated hospital queuing system. From these, various policies can be easily tested, including both model-free RL methods and classical queuing policies. Our testbed significantly expands the scope of empirical benchmarking in prior work, and complements thetraditional focus on evaluating algorithms based on mathematical guarantees in idealized settings. QGym code is open-sourced at https://github.com/namkoong-lab/QGym.

Datasets and Benchmarks

Jannik Franzen, Claudia Winklmayr, Vanessa Emanuela Guarino, Christoph Karg, Xiaoyan Yu, Nora Koreuber, Jan Albrecht, Philip Bischoff, Dagmar Kainmueller

Uncertainty Quantification (UQ) is crucial for reliable image segmentation. Yet, while the field sees continual development of novel methods, a lack of agreed-upon benchmarks limits their systematic comparison and evaluation: Current UQ methods are typically tested either on overly simplistic toy datasets or on complex real-world datasets that do not allow to discern true uncertainty. To unify both controllability and complexity, we introduce Arctique, a procedurally generated dataset modeled after histopathological colon images. We chose histopathological images for two reasons: 1) their complexity in terms of intricate object structures and highly variable appearance, which yields challenging segmentation problems, and 2) their broad prevalence for medical diagnosis and respective relevance of high-quality UQ. To generate Arctique, we established a Blender-based framework for 3D scene creation with intrinsic noise manipulation. Arctique contains up to 50,000 rendered images with precise masks as well as noisy label simulations. We show that by independently controlling the uncertainty in both images and labels, we can effectively study the performance of several commonly used UQ methods. Hence, Arctique serves as a critical resource for benchmarking and advancing UQ techniques and other methodologies in complex, multi-object environments, bridging the gap between realism and controllability. All code is publicly available, allowing re-creation and controlled manipulations of our shipped images as well as creation and rendering of new scenes.

Datasets and Benchmarks

Marek Herde, Denis Huseljic, Lukas Rauch, Bernhard Sick

Human annotators typically provide annotated data for training machine learning models, such as neural networks. Yet, human annotations are subject to noise, impairing generalization performances. Methodological research on approaches counteracting noisy annotations requires corresponding datasets for a meaningful empirical evaluation. Consequently, we introduce a novel benchmark dataset, dopanim, consisting of about 15,750 animal images of 15 classes with ground truth labels. For approximately 10,500 of these images, 20 humans provided over 52,000 annotations with an accuracy of circa 67%. Its key attributes include (1) the challenging task of classifying doppelganger animals, (2) human-estimated likelihoods as annotations, and (3) annotator metadata. We benchmark well-known multi-annotator learning approaches using seven variants of this dataset and outline further evaluation use cases such as learning beyond hard class labels and active learning. Our dataset and a comprehensive codebase are publicly available to emulate the data collection process and to reproduce all empirical results.

Graph Neural Networks

Zhuofeng Li, Zixing Gou, Xiangnan Zhang, Zhongyuan Liu, Sirui Li, Yuntong Hu, Chen LING, Zheng Zhang, Liang Zhao

Text-Attributed Graphs (TAGs) augment graph structures with natural language descriptions, facilitating detailed depictions of data and their interconnections across various real-world settings. However, existing TAG datasets predominantly feature textual information only at the nodes, with edges typically represented by mere binary or categorical attributes. This lack of rich textual edge annotations significantly limits the exploration of contextual relationships between entities, hindering deeper insights into graph-structured data. To address this gap, we introduce Textual-Edge Graphs Datasets and Benchmark (TEG-DB), a comprehensive and diverse collection of benchmark textual-edge datasets featuring rich textual descriptions on nodes and edges. The TEG-DB datasets are large-scale and encompass a wide range of domains, from citation networks to social networks. In addition, we conduct extensive benchmark experiments on TEG-DB to assess the extent to which current techniques, including pre-trained language models, graph neural networks, and their combinations, can utilize textual node and edge information. Our goal is to elicit advancements in textual-edge graph research, specifically in developing methodologies that exploit rich textual node and edge descriptions to enhance graph analysis and provide deeper insights into complex real-world networks. The entire TEG-DB project is publicly accessible as an open-source repository on Github, accessible at https://github.com/Zhuofeng-Li/TEG-Benchmark.

Datasets and Benchmarks

Juan Formanek, Callum R. Tilbury, Louise Beyers, Jonathan Shock, Arnu Pretorius

Offline multi-agent reinforcement learning (MARL) is an emerging field with great promise for real-world applications. Unfortunately, the current state of research in offline MARL is plagued by inconsistencies in baselines and evaluation protocols, which ultimately makes it difficult to accurately assess progress, trust newly proposed innovations, and allow researchers to easily build upon prior work. In this paper, we firstly identify significant shortcomings in existing methodologies for measuring the performance of novel algorithms through a representative study of published offline MARL work. Secondly, by directly comparing to this prior work, we demonstrate that simple, well-implemented baselines can achieve state-of-the-art (SOTA) results across a wide range of tasks. Specifically, we show that on 35 out of 47 datasets used in prior work (almost 75\% of cases), we match or surpass the performance of the current purported SOTA. Strikingly, our baselines often substantially outperform these more sophisticated algorithms. Finally, we correct for the shortcomings highlighted from this prior work by introducing a straightforward standardised methodology for evaluation and by providing our baseline implementations with statistically robust results across several scenarios, useful for comparisons in future work. Our proposal includes simple and sensible steps that are easy to adopt, which in combination with solid baselines and comparative results, could substantially improve the overall rigour of empirical science in offline MARL moving forward.

Datasets and Benchmarks

Victor-Alexandru Pădurean, Adish Singla

Generative models have demonstrated human-level proficiency in various benchmarks across domains like programming, natural sciences, and general knowledge. Despite these promising results on competitive benchmarks, they still struggle with seemingly simple problem-solving tasks typically carried out by elementary-level students. How do state-of-the-art models perform on standardized programming-related tests designed to assess computational thinking and problem-solving skills at schools? In this paper, we curate a novel benchmark involving computational thinking tests grounded in elementary visual programming domains. Our initial results show that state-of-the-art models like GPT-4o and Llama3 barely match the performance of an average school student. To further boost the performance of these models, we fine-tune them using a novel synthetic data generation methodology. The key idea is to develop a comprehensive dataset using symbolic methods that capture different skill levels, ranging from recognition of visual elements to multi-choice quizzes to synthesis-style tasks. We showcase how various aspects of symbolic information in synthetic data help improve fine-tuned models' performance. We will release the full implementation and datasets to facilitate further research on enhancing computational thinking in generative models.

Xinyu Zhao, Guoheng Sun, Ruisi Cai, Yukun Zhou, Pingzhi Li, Peihao Wang, Bowen Tan, Yexiao He, Li Chen, Yi Liang 等

As Large Language Models (LLMs) excel across tasks and specialized domains, scaling LLMs based on existing models has gained significant attention, which is challenged by potential performance drop when combining disparate models. Various techniques have been proposed to aggregate pre-trained LLMs, including model merging, Mixture-of-Experts, and stacking. Despite their merits, a comprehensive comparison and synergistic application of them to a diverse model zoo is yet to be adequately addressed.In light of this research gap, this paper introduces $\texttt{Model-GLUE}$, a holistic LLM scaling guideline. First, our work starts with a benchmarking of existing LLM scaling techniques, especially selective merging, and variants of mixture. Utilizing the insights from the benchmark results, we formulate a strategy for the selection and aggregation of a heterogeneous model zoo characterizing different architectures and initialization.Our methodology involves clustering mergeable models, selecting a merging strategy, and integrating model clusters through model-level mixture. Finally, evidenced by our experiments on a diverse Llama-2-based model zoo, $\texttt{Model-GLUE}$ shows an average performance enhancement of 5.61\%, achieved without additional training.Codes are available at https://github.com/Model-GLUE/Model-GLUE.