mtybilly/Instruct2DS huggingface dataset:
The Feature Speed Formula: a flexible approach to scale hyper-parameters of deep neural networks
Authors: Lénaïc Chizat, Praneeth Netrapalli
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep learning succeeds by doing hierarchical feature learning, yet tuning hyper-parameters (HP) such as initialization scales, learning rates etc., only give indirect control over this behavior. In this paper, we introduce a key notion to predict and control feature learning: the angle $\theta_\ell$ between the feature updates and the backward pass (at layer index $\ell$). We show that the magnitude of feature updates after one GD step, at any training time, can be expressed via a simple and general *feature speed formula* in terms of this angle $\theta_\ell$, the loss decay, and the magnitude of the backward pass. This angle $\theta_\ell$ is controlled by the conditioning of the layer-to-layer Jacobians and at random initialization, it is determined by the spectrum of a certain kernel, which coincides with the Neural Tangent Kernel when $\ell=\text{depth}$. Given $\theta_\ell$, the feature speed formula provides us with rules to adjust HPs (scales and learning rates) so as to satisfy certain dynamical properties, such as feature learning and loss decay. We investigate the implications of our approach for ReLU MLPs and ResNets in the large width-then-depth limit. Relying on prior work, we show that in ReLU MLPs with iid initialization, the angle degenerates with depth as $\cos(\theta_\ell)=\Theta(1/\sqrt{\ell})$. In contrast, ResNets with branch scale  $O(1/\sqrt{\text{depth}})$ maintain a non-degenerate angle $\cos(\theta_\ell)=\Theta(1)$. We use these insights to recover key properties of known HP scalings (such as $\mu$P), and also introduce a new HP scaling for large depth ReLU MLPs with favorable theoretical properties.
On the Power of Decision Trees in Auto-Regressive Language Modeling
Authors: Yulu Gan, Tomer Galanti, Tomaso Poggio, Eran Malach
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Originally proposed for handling time series data, Auto-regressive Decision Trees (ARDTs) have not yet been explored for language modeling. This paper delves into both the theoretical and practical applications of ARDTs in this new context. We theoretically demonstrate that ARDTs can compute complex functions, such as simulating automata, Turing machines, and sparse circuits, by leveraging "chain-of-thought" computations. Our analysis provides bounds on the size, depth, and computational efficiency of ARDTs, highlighting their surprising computational power. Empirically, we train ARDTs on simple language generation tasks, showing that they can learn to generate  coherent and grammatically correct text on par with a smaller Transformer model. Additionally, we show that ARDTs can be used on top of transformer representations to solve complex reasoning tasks. This research reveals the unique computational abilities of ARDTs, aiming to broaden the architectural diversity in language model development.
HardCore Generation: Generating Hard UNSAT Problems for Data Augmentation
Authors: Joseph Cotnareanu, Zhanguang Zhang, Hui-Ling Zhen, Yingxue Zhang, Mark Coates
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Efficiently determining the satisfiability of a boolean equation --- known as the SAT problem for brevity --- is crucial in various industrial problems.  Recently, the advent of deep learning methods has introduced significant potential for enhancing SAT solving. However, a major barrier to the advancement of this field has been the scarcity of large, realistic datasets.  The majority of current public datasets are either randomly generated or extremely limited, containing only a few examples from unrelated problem families. These datasets are inadequate for meaningful training of deep learning methods.  In light of this, researchers have started exploring generative techniques to create data that more accurately reflect SAT problems encountered in practical situations. These methods have so far suffered from either the inability to produce challenging SAT problems or time-scalability obstacles.  In this paper we address both by identifying and manipulating the key contributors to a problem's ``hardness'', known as cores. Although some previous work has addressed cores, the time costs are unacceptably high due to the expense of traditional heuristic core detection techniques. We introduce a fast core detection procedure that uses a graph neural network. Our empirical results demonstrate that we can efficiently generate problems that remain hard to solve and retain key attributes of the original example problems. We show via experiment that the generated synthetic SAT problems can be used in a data augmentation setting to provide improved prediction of solver runtimes.
The Mamba in the Llama: Distilling and Accelerating Hybrid Models
Authors: Junxiong Wang, Daniele Paliotta, Avner May, Alexander M. Rush, Tri Dao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Linear RNN architectures, like Mamba, can be competitive with Transformer models in language modeling while having advantageous deployment characteristics. Given the focus on training large-scale Transformer models, we consider the challenge of converting these pretrained models for deployment. We demonstrate that it is feasible to distill large Transformers into linear RNNs by reusing the linear projection weights from attention layers with academic GPU resources. The resulting hybrid model, which incorporates a quarter of the attention layers, achieves performance comparable to the original Transformer in chat benchmarks and outperforms open-source hybrid Mamba models trained from scratch with trillions of tokens in both chat benchmarks and general benchmarks. Moreover, we introduce a hardware-aware speculative decoding algorithm that accelerates the inference speed of Mamba and hybrid models. Overall we show how, with limited computation resources, we can remove many of the original attention layers and generate from the resulting model more efficiently. Our top-performing model, distilled from Llama3-8B-Instruct, achieves a 29.61 length-controlled win rate on AlpacaEval 2 against GPT-4 and 7.35 on MT-Bench, surpassing the best 8B scale instruction-tuned linear RNN model.  We also find that the distilled model has natural length extrapolation, showing almost perfect accuracy in the needle-in-a-haystack test at 20x the distillation length. Code and pre-trained checkpoints are open-sourced at MambaInLlama for distillation and SpeculativeMamba for speculative decoding.
Expectation Alignment: Handling Reward Misspecification in the Presence of Expectation Mismatch
Authors: Malek Mechergui, Sarath Sreedharan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Detecting and handling misspecified objectives, such as reward functions, has been widely recognized as one of the central challenges within the domain of Artificial Intelligence (AI) safety research. However, even with the recognition of the importance of this problem, we are unaware of any works that attempt to provide a clear definition for what constitutes (a) misspecified objectives and (b) successfully resolving such misspecifications. In this work, we use the theory of mind, i.e., the human user's beliefs about the AI agent, as a basis to develop a formal explanatory framework, called Expectation Alignment (EAL), to understand the objective misspecification and its causes.Our EAL framework not only acts as an explanatory framework for existing works but also provides us with concrete insights into the limitations of existing methods to handle reward misspecification and novel solution strategies. We use these insights to propose a new interactive algorithm that uses the specified reward to infer potential user expectations about the system behavior. We show how one can efficiently implement this algorithm by mapping the inference problem into linear programs. We evaluate our method on a set of standard Markov Decision Process (MDP) benchmarks.
BendVLM: Test-Time Debiasing of Vision-Language Embeddings
Authors: Walter Gerych, Haoran Zhang, Kimia Hamidieh, Eileen Pan, Maanas Sharma, Thomas Hartvigsen, Marzyeh Ghassemi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Vision-language (VL) embedding models have been shown to encode biases present in their training data, such as societal biases that prescribe negative characteristics to members of various racial and gender identities. Due to their wide-spread adoption for various tasks ranging from few-shot classification to text-guided image generation, debiasing VL models is crucial. Debiasing approaches that fine-tune the VL model often suffer from catastrophic forgetting. On the other hand, fine-tuning-free methods typically utilize a ``one-size-fits-all" approach that assumes that correlation with the spurious attribute can be explained using a single linear direction across all possible inputs. In this work, we propose a nonlinear, fine-tuning-free approach for VL embedding model debiasing that tailors the debiasing operation to each unique input. This allows for a more flexible debiasing approach. Additionally, we do not require knowledge of the set of inputs a priori to inference time, making our method more appropriate for online tasks such as retrieval and text guided image generation.
An Analysis of Tokenization: Transformers under Markov Data
Authors: Nived Rajaraman, Jiantao Jiao, Kannan Ramchandran
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While there has been a large body of research attempting to circumvent tokenization for language modeling (Clark et al. 2022, Xue et al. 2022), the current consensus is that it is a necessary initial step for designing state-of-the-art performant language models. In this paper, we investigate tokenization from a theoretical point of view by studying the behavior of transformers on simple data generating processes. When trained on data drawn from certain simple $k^{\text{th}}$-order Markov processes for $k > 1$, transformers exhibit a surprising phenomenon - in the absence of tokenization, they empirically are incredibly slow or fail to learn the right distribution and predict characters according to a unigram model (Makkuva et al. 2024). With the addition of tokenization, however, we empirically observe that transformers break through this barrier and are able to model the probabilities of sequences drawn from the source near-optimally, achieving small cross-entropy loss. With this observation as starting point, we study the end-to-end cross-entropy loss achieved by transformers with and without tokenization. With the appropriate tokenization, we show that even the simplest unigram models (over tokens) learnt by transformers are able to model the probability of sequences drawn from $k^{\text{th}}$-order Markov sources near optimally. Our analysis provides a justification for the use of tokenization in practice through studying the behavior of transformers on Markovian data.
SGLang: Efficient Execution of Structured Language Model Programs
Authors: Lianmin Zheng, Liangsheng Yin, Zhiqiang Xie, Chuyue Sun, Jeff Huang, Cody Hao Yu, Shiyi Cao, Christos Kozyrakis, Ion Stoica, Joseph E. Gonzalez, Clark Barrett, Ying Sheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) are increasingly used for complex tasks that require multiple generation calls, advanced prompting techniques, control flow, and structured inputs/outputs. However, efficient systems are lacking for programming and executing these applications. We introduce SGLang, a system for efficient execution of complex language model programs. SGLang consists of a frontend language and a runtime. The frontend simplifies programming with primitives for generation and parallelism control. The runtime accelerates execution with novel optimizations like RadixAttention for KV cache reuse and compressed finite state machines for faster structured output decoding. Experiments show that SGLang achieves up to $6.4\times$ higher throughput compared to state-of-the-art inference systems on various large language and multi-modal models on tasks including agent control, logical reasoning, few-shot learning benchmarks, JSON decoding, retrieval-augmented generation pipelines, and multi-turn chat. The code is publicly available at https://github.com/sgl-project/sglang.
The Closeness of In-Context Learning and Weight Shifting for Softmax Regression
Authors: Shuai Li, Zhao Song, Yu Xia, Tong Yu, Tianyi Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) are known for their exceptional performance in natural language processing, making them highly effective in many human life-related tasks. The attention mechanism in the Transformer architecture is a critical component of LLMs, as it allows the model to selectively focus on specific input parts. The softmax unit, which is a key part of the attention mechanism, normalizes the attention scores. Hence, the performance of LLMs in various NLP tasks depends significantly on the crucial role played by the attention mechanism with the softmax unit.In-context learning is one of the celebrated abilities of recent LLMs. Without further parameter updates, Transformers can learn to predict based on few in-context examples. However, the reason why Transformers becomes in-context learners is not well understood.Recently, in-context learning has been studied from a mathematical perspective with simplified linear self-attention without softmax unit. Based on a linear regression formulation $\min_x\| Ax  - b \|_2$, existing works show linear Transformers' capability of learning linear functions in context. The capability of Transformers with softmax unit approaching full Transformers, however, remains unexplored.In this work, we study the in-context learning based on a softmax regression formulation $\min_{x} \| \langle \exp(Ax), {\bf 1}_n \rangle^{-1} \exp(Ax) - b \|_2$. We show the upper bounds of the data transformations induced by a single self-attention layer with softmax unit and by gradient-descent on a $\ell_2$ regression loss for softmax prediction function.Our theoretical results imply that when training self-attention-only Transformers for fundamental regression tasks, the models learned by gradient-descent and Transformers show great similarity.
Induced Model Matching: Restricted Models Help Train Full-Featured Models
Authors: Usama Muneeb, Mesrob I. Ohannessian
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider scenarios where a very accurate (often small) predictive model using restricted features is available when training a full-featured (often larger) model. This restricted model may be thought of as ``side-information'', and can come either from an auxiliary dataset or from the same dataset by forcing the restriction. How can the restricted model be useful to the full model? To answer this, we introduce a methodology called Induced Model Matching (IMM). IMM aligns the context-restricted, or induced, version of the large model with the restricted model. We relate IMM to approaches such as noising, which is implicit in addressing the problem, and reverse knowledge distillation from weak teachers, which is explicit but does not exploit restriction being the nature of the weakness. We show that these prior methods can be thought of as approximations to IMM and can be problematic in terms of consistency. Experimentally, we first motivate IMM using logistic regression as a toy example. We then explore it in language modeling, the application that initially inspired it, and demonstrate it on both LSTM and transformer full models, using bigrams as restricted models. We lastly give a simple RL example, which shows that POMDP policies can help learn better MDP policies. The IMM principle is thus generally applicable in common scenarios where restricted data is cheaper to collect or restricted models are easier to learn.
The ALCHEmist: Automated Labeling 500x CHEaper than LLM Data Annotators
Authors: Tzu-Heng Huang, Catherine Cao, Vaishnavi Bhargava, Frederic Sala
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large pretrained models can be used as annotators, helping replace or augment crowdworkers and enabling distilling generalist models into smaller specialist models. Unfortunately, this comes at a cost: employing top-of-the-line models often requires paying thousands of dollars for API calls, while the resulting datasets are static and challenging to audit. To address these challenges, we propose a simple alternative: rather than directly querying labels from pretrained models, we task models to generate programs that can produce labels. These programs can be stored and applied locally, re-used and extended, and cost orders of magnitude less. Our system, $\textbf{Alchemist}$, obtains comparable to or better performance than large language model-based annotation in a range of tasks for a fraction of the cost: on average, improvements amount to a $\textbf{12.9}$% enhancement while the total labeling costs across all datasets are reduced by a factor of approximately $\textbf{500}\times$.
SpikeReveal: Unlocking Temporal Sequences from Real Blurry Inputs with Spike Streams
Authors: Kang Chen, Shiyan Chen, Jiyuan Zhang, Baoyue Zhang, Yajing Zheng, Tiejun Huang, Zhaofei Yu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reconstructing a sequence of sharp images from the blurry input is crucial for enhancing our insights into the captured scene and poses a significant challenge due to the limited temporal features embedded in the image. Spike cameras, sampling at rates up to 40,000 Hz, have proven effective in capturing motion features and beneficial for solving this ill-posed problem. Nonetheless, existing methods fall into the supervised learning paradigm, which suffers from notable performance degradation when applied to real-world scenarios that diverge from the synthetic training data domain. To address these challenges, we propose the first self-supervised framework for the task of spike-guided motion deblurring. Our approach begins with the formulation of a spike-guided deblurring model that explores the theoretical relationships among spike streams, blurry images, and their corresponding sharp sequences. We subsequently develop a self-supervised cascaded framework to alleviate the issues of spike noise and spatial-resolution mismatching encountered in the deblurring model. With knowledge distillation and re-blurring loss, we further design a lightweight deblur network to generate high-quality sequences with brightness and texture consistency with the original input. Quantitative and qualitative experiments conducted on our real-world and synthetic datasets with spikes validate the superior generalization of the proposed framework. Our code, data and trained models are available at \url{https://github.com/chenkang455/S-SDM}.
Are Large Language Models Good Statisticians?
Authors: Yizhang Zhu, Shiyin Du, Boyan Li, Yuyu Luo, Nan Tang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Large Language Models (LLMs) have demonstrated impressive capabilities across a range of scientific tasks including mathematics, physics, and chemistry. Despite their successes, the effectiveness of LLMs in handling complex statistical tasks remains systematically under-explored. To bridge this gap, we introduce StatQA, a new benchmark designed for statistical analysis tasks. StatQA comprises 11,623 examples tailored to evaluate LLMs' proficiency in specialized statistical tasks and their applicability assessment capabilities, particularly for hypothesis testing methods. We systematically experiment with representative LLMs using various prompting strategies and show that even state-of-the-art models such as GPT-4o achieve a best performance of only 64.83%, indicating significant room for improvement. Notably, while open-source LLMs (e.g. LLaMA-3) show limited capability, those fine-tuned ones exhibit marked improvements, outperforming all in-context learning-based methods (e.g. GPT-4o). Moreover, our comparative human experiments highlight a striking contrast in error types between LLMs and humans: LLMs primarily make applicability errors, whereas humans mostly make statistical task confusion errors. This divergence highlights distinct areas of proficiency and deficiency, suggesting that combining LLM and human expertise could lead to complementary strengths, inviting further investigation into their collaborative potential. Our source code and data are available at https://statqa.github.io/.
PTQ4DiT: Post-training Quantization for Diffusion Transformers
Authors: Junyi Wu, Haoxuan Wang, Yuzhang Shang, Mubarak Shah, Yan Yan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The recent introduction of Diffusion Transformers (DiTs) has demonstrated exceptional capabilities in image generation by using a different backbone architecture, departing from traditional U-Nets and embracing the scalable nature of transformers. Despite their advanced capabilities, the wide deployment of DiTs, particularly for real-time applications, is currently hampered by considerable computational demands at the inference stage. Post-training Quantization (PTQ) has emerged as a fast and data-efficient solution that can significantly reduce computation and memory footprint by using low-bit weights and activations. However, its applicability to DiTs has not yet been explored and faces non-trivial difficulties due to the unique design of DiTs. In this paper, we propose PTQ4DiT, a specifically designed PTQ method for DiTs. We discover two primary quantization challenges inherent in DiTs, notably the presence of salient channels with extreme magnitudes and the temporal variability in distributions of salient activation over multiple timesteps. To tackle these challenges, we propose Channel-wise Salience Balancing (CSB) and Spearmen's $\rho$-guided Salience Calibration (SSC). CSB leverages the complementarity property of channel magnitudes to redistribute the extremes, alleviating quantization errors for both activations and weights. SSC extends this approach by dynamically adjusting the balanced salience to capture the temporal variations in activation. Additionally, to eliminate extra computational costs caused by PTQ4DiT during inference, we design an offline re-parameterization strategy for DiTs. Experiments demonstrate that our PTQ4DiT successfully quantizes DiTs to 8-bit precision (W8A8) while preserving comparable generation ability and further enables effective quantization to 4-bit weight precision (W4A8) for the first time.
B-cosification: Transforming Deep Neural Networks to be Inherently Interpretable
Authors: Shreyash Arya, Sukrut Rao, Moritz Böhle, Bernt Schiele
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: B-cos Networks have been shown to be effective for obtaining highly human interpretable explanations of model decisions by architecturally enforcing stronger alignment between inputs and weight. B-cos variants of convolutional networks (CNNs) and vision transformers (ViTs), which primarily replace linear layers with B-cos transformations, perform competitively to their respective standard variants while also yielding explanations that are faithful by design. However, it has so far been necessary to train these models from scratch, which is increasingly infeasible in the era of large, pre-trained foundation models. In this work, inspired by the architectural similarities in standard DNNs and B-cos networks, we propose ‘B-cosification’, a novel approach to transform existing pre-trained models to become inherently interpretable. We perform a thorough study of design choices to perform this conversion, both for convolutional neural networks and vision transformers. We find that B-cosification can yield models that are on par with B-cos models trained from scratch in terms of interpretability, while often outperforming them in terms of classification performance at a fraction of the training cost. Subsequently, we apply B-cosification to a pretrained CLIP model, and show that, even with limited data and compute cost, we obtain a B-cosified version that is highly interpretable and competitive on zero shot performance across a variety of datasets. We release ourcode and pre-trained model weights at https://github.com/shrebox/B-cosification.
SelfCodeAlign: Self-Alignment for Code Generation
Authors: Yuxiang Wei, Federico Cassano, Jiawei Liu, Yifeng Ding, Naman Jain, Zachary Mueller, Harm de Vries, Leandro von Werra, Arjun Guha, Lingming Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Instruction tuning is a supervised fine-tuning approach that significantly improves the ability of large language models (LLMs) to follow human instructions. For programming tasks, most models are finetuned with costly human-annotated instruction-response pairs or those generated by large, proprietary LLMs, which may not be permitted. We propose SelfCodeAlign, the first fully transparent and permissive pipeline for self-aligning code LLMs without extensive human annotations or distillation. SelfCodeAlign employs the same base model for inference throughout the data generation process. It first extracts diverse coding concepts from high-quality seed snippets to generate new tasks. It then samples multiple responses per task, pairs each with test cases, and validates them in a sandbox environment. Finally, passing examples are selected for instruction tuning. In our primary experiments, we use SelfCodeAlign with CodeQwen1.5-7B to generate a dataset of 74k instruction-response pairs. Finetuning on this dataset leads to a model that achieves a 67.1 pass@1 on HumanEval+, surpassing CodeLlama-70B-Instruct despite being ten times smaller. Across all benchmarks, this finetuned model consistently outperforms the original version trained with OctoPack, the previous state-of-the-art method for instruction tuning without human annotations or distillation. Additionally, we show that SelfCodeAlign is effective across LLMs of various sizes, from 3B to 33B, and that the base models can benefit more from alignment with their own data distribution. We further validate each component’s effectiveness in our pipeline, showing that SelfCodeAlign outperforms both direct distillation from GPT-4o and leading GPT-3.5-based distillation methods, such as OSS-Instruct and Evol-Instruct. SelfCodeAlign has also led to the creation of StarCoder2-Instruct, the first fully transparent, permissively licensed, and self-aligned code LLM that achieves state-of-the-art coding performance. Overall, SelfCodeAlign shows for the first time that a strong instruction-tuned code LLM can result from self-alignment rather than distillation.
A Cross-Domain Benchmark for Active Learning
Authors: Thorben Werner, Johannes Burchert, Maximilian Stubbemann, Lars Schmidt-Thieme
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Active Learning (AL) deals with identifying the most informative samples forlabeling to reduce data annotation costs for supervised learning tasks. ALresearch suffers from the fact that lifts from literature generalize poorly andthat only a small number of repetitions of experiments are conducted. To overcomethese obstacles, we propose CDALBench, the first active learning benchmarkwhich includes tasks in computer vision, natural language processing and tabularlearning. Furthermore, by providing an efficient, greedy oracle, CDALBenchcan be evaluated with 50 runs for each experiment. We show, that both thecross-domain character and a large amount of repetitions are crucial forsophisticated evaluation of AL research. Concretely, we show that thesuperiority of specific methods varies over the different domains, making itimportant to evaluate Active Learning with a cross-domain benchmark.Additionally, we show that having a large amount of runs is crucial. With onlyconducting three runs as often done in the literature, the superiority ofspecific methods can strongly vary with the specific runs. This effect is so strong, that, depending on the seed, even a well-established method's performance can be significantly better and significantlyworse than random for the same dataset.
SPARKLE: A Unified Single-Loop Primal-Dual Framework for Decentralized Bilevel Optimization
Authors: Shuchen Zhu, Boao Kong, Songtao Lu, Xinmeng Huang, Kun Yuan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper studies decentralized bilevel optimization, in which multiple agents collaborate to solve problems involving nested optimization structures with neighborhood communications. Most existing literature primarily utilizes gradient tracking to mitigate the influence of data heterogeneity, without exploring other well-known heterogeneity-correction techniques such as EXTRA or Exact Diffusion. Additionally, these studies often employ identical decentralized strategies for both upper- and lower-level problems, neglecting to leverage distinct mechanisms across different levels. To address these limitations, this paper proposes SPARKLE, a unified single-loop primal-dual algorithm framework for decentralized bilevel optimization. SPARKLE offers the flexibility to incorporate various heterogeneity-correction strategies into the algorithm. Moreover, SPARKLE allows for different strategies to solve upper- and lower-level problems. We present a unified convergence analysis for SPARKLE, applicable to all its variants, with state-of-the-art convergence rates compared to existing decentralized bilevel algorithms. Our results further reveal that EXTRA and Exact Diffusion are more suitable for decentralized bilevel optimization, and using mixed strategies in bilevel algorithms brings more benefits than relying solely on gradient tracking.
Mitigating Partial Observability in Sequential Decision Processes via the Lambda Discrepancy
Authors: Cameron Allen, Aaron Kirtland, Ruo Yu Tao, Sam Lobel, Daniel Scott, Nicholas Petrocelli, Omer Gottesman, Ronald Parr, Michael L. Littman, George Konidaris
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reinforcement learning algorithms typically rely on the assumption that the environment dynamics and value function can be expressed in terms of a Markovian state representation. However, when state information is only partially observable, how can an agent learn such a state representation, and how can it detect when it has found one? We introduce a metric that can accomplish both objectives, without requiring access to---or knowledge of---an underlying, unobservable state space. Our metric, the λ-discrepancy, is the difference between two distinct temporal difference (TD) value estimates, each computed using TD(λ) with a different value of λ. Since TD(λ=0) makes an implicit Markov assumption and TD(λ=1) does not, a discrepancy between these estimates is a potential indicator of a non-Markovian state representation. Indeed, we prove that the λ-discrepancy is exactly zero for all Markov decision processes and almost always non-zero for a broad class of partially observable environments. We also demonstrate empirically that, once detected, minimizing the λ-discrepancy can help with learning a memory function to mitigate the corresponding partial observability. We then train a reinforcement learning agent that simultaneously constructs two recurrent value networks with different λ parameters and minimizes the difference between them as an auxiliary loss. The approach scales to challenging partially observable domains, where the resulting agent frequently performs significantly better (and never performs worse) than a baseline recurrent agent with only a single value network.
The Edge-of-Reach Problem in Offline Model-Based Reinforcement Learning
Authors: Anya Sims, Cong Lu, Jakob N. Foerster, Yee Whye Teh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Offline reinforcement learning (RL) aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively "bootstrapping from the void." This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Since world models will inevitably improve, we believe this is a key step towards future-proofing offline RL.
UGC: Universal Graph Coarsening
Authors: Mohit Kataria, Sandeep Kumar, Jayadeva
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In the era of big data, graphs have emerged as a natural representation of intricate relationships. However, graph sizes often become unwieldy, leading to storage, computation, and analysis challenges. A crucial demand arises for methods that can effectively downsize large graphs while retaining vital insights. Graph coarsening seeks to simplify large graphs while maintaining the basic statistics of the graphs, such as spectral properties and $\epsilon$-similarity in the coarsened graph. This ensures that downstream processes are more efficient and effective. Most published methods are suitable for homophilic datasets, limiting their universal use. We propose **U**niversal **G**raph **C**oarsening (UGC), a framework equally suitable for homophilic and heterophilic datasets. UGC integrates node attributes and adjacency information, leveraging the dataset's heterophily factor. Results on benchmark datasets demonstrate that UGC preserves spectral similarity while coarsening. In comparison to existing methods, UGC is 4x to 15x faster, has lower eigen-error, and yields superior performance on downstream processing tasks even at 70% coarsening ratios.
Improving the Training of Rectified Flows
Authors: Sangyun Lee, Zinan Lin, Giulia Fanti
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models have shown great promise for image and video generation, but sampling from state-of-the-art models requires expensive numerical integration of a generative ODE.    One approach for tackling this problem is rectified flows, which iteratively learn smooth ODE paths that are less susceptible to truncation error.    However, rectified flows still require a relatively large number of function evaluations (NFEs).    In this work, we propose improved techniques for training rectified flows, allowing them to compete with knowledge distillation methods even in the low NFE setting.    Our main insight is that under realistic settings, a single iteration of the Reflow algorithm for training rectified flows is sufficient to learn nearly straight trajectories; hence, the current practice of using multiple Reflow iterations is unnecessary.    We thus propose techniques to improve one-round training of rectified flows, including a U-shaped timestep distribution and LPIPS-Huber premetric.    With these techniques, we improve the FID of the previous 2-rectified flow by up to 75\% in the 1 NFE setting on CIFAR-10.    On ImageNet 64$\times$64, our improved rectified flow outperforms the state-of-the-art distillation methods    such as consistency distillation and progressive distillation in both one-step and two-step settings and rivals the performance of improved consistency training (iCT) in FID.    Code is available at https://github.com/sangyun884/rfpp.
JourneyBench: A Challenging One-Stop Vision-Language Understanding Benchmark of Generated Images
Authors: Zhecan Wang, Junzhang Liu, Chia-Wei Tang, Hani Alomari, Anushka Sivakumar, Rui Sun, Wenhao Li, Md. Atabuzzaman, Hammad Ayyubi, Haoxuan You, Alvi Ishmam, Kai-Wei Chang, Shih-Fu Chang, Chris Thomas
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Existing vision-language understanding benchmarks largely consist of images of objects in their usual contexts.As a consequence, recent multimodal large language models can perform well with only a shallow visual understanding by relying on background language biases. Thus, strong performance on these benchmarks does not necessarily correlate with strong visual understanding. In this paper, we release JourneyBench, a comprehensive human-annotated benchmark of generated images designed to assess the model's fine-grained multimodal reasoning abilities across five tasks: complementary multimodal chain of thought, multi-image VQA, imaginary image captioning, VQA with hallucination triggers, and fine-grained retrieval with sample-specific distractors.Unlike existing benchmarks, JourneyBench explicitly requires fine-grained multimodal reasoning in unusual imaginary scenarios where language bias and holistic image gist are insufficient. We benchmark state-of-the-art models on JourneyBench and analyze performance along a number of fine-grained dimensions. Results across all five tasks show that JourneyBench is exceptionally challenging for even the best models, indicating that models' visual reasoning abilities are not as strong as they first appear. We discuss the implications of our findings and propose avenues for further research.
A robust inlier identification algorithm for point cloud registration via $\mathbf{\ell_0}$-minimization
Authors: Yinuo Jiang, Xiuchuan Tang, Cheng Cheng, Ye Yuan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Correspondences in point cloud registration are prone to outliers, significantly reducing registration accuracy and highlighting the need for precise inlier identification. In this paper, we propose a robust inlier identification algorithm for point cloud registration by reformulating the conventional registration problem as an alignment error $\ell_0$-minimization problem. The $\ell_0$-minimization problem is formulated for each local set, where those local sets are built on a compatibility graph of input correspondences. To resolve the $\ell_0$-minimization, we develop a novel two-stage decoupling strategy, which first decouples the alignment error into a rotation fitting error and a translation fitting error. Second, null-space matrices are employed to decouple inlier identification from the estimation of rotation and translation respectively, thereby applying Bayesian theory to $\ell_0$-minimization problems and solving for fitting errors. Correspondences with the smallest errors are identified as inliers to generate a transformation hypothesis for each local set. The best hypothesis is selected to perform registration. We demonstrate that the proposed inlier identification algorithm is robust under high outlier ratios and noise through experiments. Extensive results on the KITTI, 3DMatch, and 3DLoMatch datasets demonstrate that our method achieves state-of-the-art performance compared to both traditional and learning-based methods in various indoor and outdoor scenes.
Score-based generative models are provably robust: an uncertainty quantification perspective
Authors: Nikiforos Mimikos-Stamatopoulos, Benjamin J. Zhang, Markos A. Katsoulakis
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Through an uncertainty quantification (UQ) perspective, we show that score-based generative models (SGMs) are provably robust to the multiple sources of error in practical implementation. Our primary tool is the Wasserstein uncertainty propagation (WUP) theorem, a *model-form UQ* bound that describes how the $L^2$ error from learning the score function propagates to a Wasserstein-1 ($\mathbf{d}_1$) ball around the true data distribution under the evolution of the Fokker-Planck equation. We show how errors due to (a) finite sample approximation, (b) early stopping, (c) score-matching objective choice, (d) score function parametrization expressiveness, and (e) reference distribution choice, impact the quality of the generative model in terms of a $\mathbf{d}_1$ bound of computable quantities. The WUP theorem relies on Bernstein estimates for Hamilton-Jacobi-Bellman partial differential equations (PDE) and the regularizing properties of diffusion processes. Specifically, *PDE regularity theory* shows that *stochasticity* is the key mechanism ensuring SGM algorithms are provably robust. The WUP theorem applies to integral probability metrics beyond $\mathbf{d}_1$, such as the total variation distance and the maximum mean discrepancy. Sample complexity and generalization bounds in $\mathbf{d}_1$ follow directly from the WUP theorem. Our approach requires minimal assumptions, is agnostic to the manifold hypothesis and avoids absolute continuity assumptions for the target distribution. Additionally, our results clarify the *trade-offs* among multiple error sources in SGMs.
Distributional Reinforcement Learning with Regularized Wasserstein Loss
Authors: Ke Sun, Yingnan Zhao, Wulong Liu, Bei Jiang, Linglong Kong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The empirical success of distributional reinforcement learning (RL) highly relies on the choice of distribution divergence equipped with an appropriate distribution representation. In this paper, we propose \textit{Sinkhorn distributional RL (SinkhornDRL)}, which leverages Sinkhorn divergence—a regularized Wasserstein loss—to minimize the difference between current and target Bellman return distributions. Theoretically, we prove the contraction properties of SinkhornDRL, aligning with the interpolation nature of Sinkhorn divergence between Wasserstein distance and Maximum Mean Discrepancy (MMD). The introduced SinkhornDRL enriches the family of distributional RL algorithms, contributing to interpreting the algorithm behaviors compared with existing approaches by our investigation into their relationships. Empirically, we show that SinkhornDRL consistently outperforms or matches existing algorithms on the Atari games suite and particularly stands out in the multi-dimensional reward setting. \thanks{Code is available in \url{https://github.com/datake/SinkhornDistRL}.}.
CryoGEM: Physics-Informed Generative Cryo-Electron Microscopy
Authors: Jiakai Zhang, Qihe Chen, Yan Zeng, Wenyuan Gao, Xuming He, Zhijie Liu, Jingyi Yu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In the past decade, deep conditional generative models have revolutionized the generation of realistic images, extending their application from entertainment to scientific domains. Single-particle cryo-electron microscopy (cryo-EM) is crucial in resolving near-atomic resolution 3D structures of proteins, such as the SARS-COV-2 spike protein. To achieve high-resolution reconstruction, a comprehensive data processing pipeline has been adopted. However, its performance is still limited as it lacks high-quality annotated datasets for training. To address this, we introduce physics-informed generative cryo-electron microscopy (CryoGEM), which for the first time integrates physics-based cryo-EM simulation with a generative unpaired noise translation to generate physically correct synthetic cryo-EM datasets with realistic noises. Initially, CryoGEM simulates the cryo-EM imaging process based on a virtual specimen. To generate realistic noises, we leverage an unpaired noise translation via contrastive learning with a novel mask-guided sampling scheme. Extensive experiments show that CryoGEM is capable of generating authentic cryo-EM images. The generated dataset can be used as training data for particle picking and pose estimation models, eventually improving the reconstruction resolution.
Semi-Open 3D Object Retrieval via Hierarchical Equilibrium on Hypergraph
Authors: Yang Xu, Yifan Feng, Jun Zhang, Jun-Hai Yong, Yue Gao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Existing open-set learning methods consider only the single-layer labels of objects and strictly assume no overlap between the training and testing sets, leading to contradictory optimization for superposed categories. In this paper, we introduce a more practical Semi-Open Environment setting for open-set 3D object retrieval with hierarchical labels, in which the training and testing set share a partial label space for coarse categories but are completely disjoint from fine categories. We propose the Hypergraph-Based Hierarchical Equilibrium Representation (HERT) framework for this task. Specifically, we propose the Hierarchical Retrace Embedding (HRE) module to overcome the global disequilibrium of unseen categories by fully leveraging the multi-level category information. Besides, tackling the feature overlap and class confusion problem, we perform the Structured Equilibrium Tuning (SET) module to utilize more equilibrial correlations among objects and generalize to unseen categories, by constructing a superposed hypergraph based on the local coherent and global entangled correlations. Furthermore, we generate four semi-open 3DOR datasets with multi-level labels for benchmarking. Results demonstrate that the proposed method can effectively generate the hierarchical embeddings of 3D objects and generalize them towards semi-open environments.