NeurIPS 2024 Papers

Trained models are often composed with post-hoc transforms such as temperature scaling (TS), ensembling and stochastic weight averaging (SWA) to improve performance, robustness, uncertainty estimation, etc. However, such transforms are typically applied only after the base models have already been finalized by standard means. In this paper, we challenge this practice with an extensive empirical study. In particular, we demonstrate a phenomenon that we call post-hoc reversal, where performance trends are reversed after applying post-hoc transforms. This phenomenon is especially prominent in high-noise settings. For example, while base models overfit badly early in training, both ensembling and SWA favor base models trained for more epochs. Post-hoc reversal can also prevent the appearance of double descent and mitigate mismatches between test loss and test error seen in base models. Preliminary analyses suggest that these transforms induce reversal by suppressing the influence of mislabeled examples, exploiting differences in their learning dynamics from those of clean examples. Based on our findings, we propose post-hoc selection, a simple technique whereby post-hoc metrics inform model development decisions such as early stopping, checkpointing, and broader hyperparameter choices. Our experiments span real-world vision, language, tabular and graph datasets. On an LLM instruction tuning dataset, post-hoc selection results in >1.5x MMLU improvement compared to naive selection.

Visual representations become progressively more abstract along the cortical hierarchy. These abstract representations define notions like objects and shapes, but at the cost of spatial specificity. By contrast, low-level regions represent spatially local but simple input features. How do spatially non-specific representations of abstract concepts in high-level areas flexibly modulate the low-level sensory representations in appropriate ways to guide context-driven and goal-directed behaviors across a range of tasks? We build a biologically motivated and trainable neural network model of dynamics in the visual pathway, incorporating local, lateral, and feedforward synaptic connections, excitatory and inhibitory neurons, and long-range top-down inputs conceptualized as low-rank modulations of the input-driven sensory responses by high-level areas. We study this ${\bf D}$ynamical ${\bf C}$ortical ${\bf net}$work ($DCnet$) in a visual cue-delay-search task and show that the model uses its own cue representations to adaptively modulate its perceptual responses to solve the task, outperforming state-of-the-art DNN vision and LLM models. The model's population states over time shed light on the nature of contextual modulatory dynamics, generating predictions for experiments. We fine-tune the same model on classic psychophysics attention tasks, and find that the model closely replicates known reaction time results. This work represents a promising new foundation for understanding and making predictions about perturbations to visual processing in the brain.

Beyond scaling base models with more data or parameters, fine-tuned adapters provide an alternative way to generate high fidelity, custom images at reduced costs. As such, adapters have been widely adopted by open-source communities, accumulating a database of over 100K adapters—most of which are highly customized with insufficient descriptions. To generate high quality images, this paper explores the problem of matching the prompt to a Stylus of relevant adapters, built on recent work that highlight the performance gains of composing adapters. We introduce Stylus, which efficiently selects and automatically composes task-specific adapters based on a prompt's keywords. Stylus outlines a three-stage approach that first summarizes adapters with improved descriptions and embeddings, retrieves relevant adapters, and then further assembles adapters based on prompts' keywords by checking how well they fit the prompt. To evaluate Stylus, we developed StylusDocs, a curated dataset featuring 75K adapters with pre-computed adapter embeddings. In our evaluation on popular Stable Diffusion checkpoints, Stylus achieves greater CLIP/FID Pareto efficiency and is twice as preferred, with humans and multimodal models as evaluators, over the base model.

Large pre-trained models excel in zero/few-shot learning for language and vision tasks but face challenges in multivariate time series (TS) forecasting due to diverse data characteristics. Consequently, recent research efforts have focused on developing pre-trained TS forecasting models. These models, whether built from scratch or adapted from large language models (LLMs), excel in zero/few-shot forecasting tasks. However, they are limited by slow performance, high computational demands, and neglect of cross-channel and exogenous correlations. To address this, we introduce Tiny Time Mixers (TTM), a compact model (starting from 1M parameters) with effective transfer learning capabilities, trained exclusively on public TS datasets. TTM, based on the light-weight TSMixer architecture, incorporates innovations like adaptive patching, diverse resolution sampling, and resolution prefix tuning to handle pre-training on varied dataset resolutions with minimal model capacity. Additionally, it employs multi-level modeling to capture channel correlations and infuse exogenous signals during fine-tuning. TTM outperforms existing popular benchmarks in zero/few-shot forecasting by (4-40\%), while reducing computational requirements significantly. Moreover, TTMs are lightweight and can be executed even on CPU-only machines, enhancing usability and fostering wider adoption in resource-constrained environments. The model weights for reproducibility and research use are available at https://huggingface.co/ibm/ttm-research-r2/, while enterprise-use weights under the Apache license can be accessed as follows: the initial TTM-Q variant at https://huggingface.co/ibm-granite/granite-timeseries-ttm-r1, and the latest variants (TTM-B, TTM-E, TTM-A) weights are available at https://huggingface.co/ibm-granite/granite-timeseries-ttm-r2. The source code for the TTM model along with the usage scripts are available at https://github.com/ibm-granite/granite-tsfm/tree/main/tsfm_public/models/tinytimemixer

Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be made computationally efficient, but fail to account for underspecification, the implicit bias of the optimization algorithm, or multi-stage training pipelines. By contrast, methods based on unrolling address these issues but face scalability challenges. In this work, we connect the implicit-differentiation-based and unrolling-based approaches and combine their benefits by introducing Source, an approximate unrolling-based TDA method that is computed using an influence-function-like formula. While being computationally efficient compared to unrolling-based approaches, Source is suitable in cases where implicit-differentiation-based approaches struggle, such as in non-converged models and multi-stage training pipelines. Empirically, Source outperforms existing TDA techniques in counterfactual prediction, especially in settings where implicit-differentiation-based approaches fall short.

This paper introduces OpenGaussian, a method based on 3D Gaussian Splatting (3DGS) that possesses the capability for 3D point-level open vocabulary understanding. Our primary motivation stems from observing that existing 3DGS-based open vocabulary methods mainly focus on 2D pixel-level parsing. These methods struggle with 3D point-level tasks due to weak feature expressiveness and inaccurate 2D-3D feature associations. To ensure robust feature presentation and 3D point-level understanding, we first employ SAM masks without cross-frame associations to train instance features with 3D consistency. These features exhibit both intra-object consistency and inter-object distinction. Then, we propose a two-stage codebook to discretize these features from coarse to fine levels. At the coarse level, we consider the positional information of 3D points to achieve location-based clustering, which is then refined at the fine level. Finally, we introduce an instance-level 3D-2D feature association method that links 3D points to 2D masks, which are further associated with 2D CLIP features. Extensive experiments, including open vocabulary-based 3D object selection, 3D point cloud understanding, click-based 3D object selection, and ablation studies, demonstrate the effectiveness of our proposed method. The source code is available at our project page https://3d-aigc.github.io/OpenGaussian.

This paper considers the distributed learning problem where a group of agents cooperatively minimizes the summation of their local cost functions based on peer-to-peer communication. Particularly, we propose a highly efficient algorithm, termed ``B-ary Tree Push-Pull'' (BTPP), that employs two B-ary spanning trees for distributing the information related to the parameters and stochastic gradients across the network. The simple method is efficient in communication since each agent interacts with at most $(B+1)$ neighbors per iteration. More importantly, BTPP achieves linear speedup for smooth nonconvex objective functions with only $\tilde{O}(n)$ transient iterations, significantly outperforming the state-of-the-art results to the best of our knowledge.

Recently, prompt learning has emerged as the state-of-the-art (SOTA) for fair text-to-image (T2I) generation. Specifically, this approach leverages readily available reference images to learn inclusive prompts for each target Sensitive Attribute (tSA), allowing for fair image generation. In this work, we first reveal that this prompt learning-based approach results in degraded sample quality. Our analysis shows that the approach's training objective--which aims to align the embedding differences of learned prompts and reference images-- could be sub-optimal, resulting in distortion of the learned prompts and degraded generated images. To further substantiate this claim, **as our major contribution**, we deep dive into the denoising subnetwork of the T2I model to track down the effect of these learned prompts by analyzing the cross-attention maps. In our analysis, we propose a novel prompt switching analysis: I2H and H2I. Furthermore, we propose new quantitative characterization of cross-attention maps. Our analysis reveals abnormalities in the early denoising steps, perpetuating improper global structure that results in degradation in the generated samples. Building on insights from our analysis, we propose two ideas: (i) *Prompt Queuing* and (ii) *Attention Amplification* to address the quality issue. Extensive experimental results on a wide range of tSAs show that our proposed method outperforms SOTA approach's image generation quality, while achieving competitive fairness. More resources at FairQueue Project site: https://sutd-visual-computing-group.github.io/FairQueue

Heterophily, or the tendency of connected nodes in networks to have different class labels or dissimilar features, has been identified as challenging for many Graph Neural Network (GNN) models. While the challenges of applying GNNs for node classification when class labels display strong heterophily are well understood, it is unclear how heterophily affects GNN performance in other important graph learning tasks where class labels are not available. In this work, we focus on the link prediction task and systematically analyze the impact of heterophily in node features on GNN performance. We first introduce formal definitions of homophilic and heterophilic link prediction tasks, and present a theoretical framework that highlights the different optimizations needed for the respective tasks. We then analyze how different link prediction encoders and decoders adapt to varying levels of feature homophily and introduce designs for improved performance. Based on our definitions, we identify and analyze six real-world benchmarks spanning from homophilic to heterophilic link prediction settings, with graphs containing up to 30M edges. Our empirical analysis on a variety of synthetic and real-world datasets confirms our theoretical insights and highlights the importance of adopting learnable decoders and GNN encoders with ego- and neighbor-embedding separation in message passing for link prediction tasks beyond homophily.

Machine unlearning has raised significant interest with the adoption of laws ensuring the ``right to be forgotten''. Researchers have provided a probabilistic notion of approximate unlearning under a similar definition of Differential Privacy (DP), where privacy is defined as statistical indistinguishability to retraining from scratch. We propose Langevin unlearning, an unlearning framework based on noisy gradient descent with privacy guarantees for approximate unlearning problems. Langevin unlearning unifies the DP learning process and the privacy-certified unlearning process with many algorithmic benefits. These include approximate certified unlearning for non-convex problems, complexity saving compared to retraining, sequential and batch unlearning for multiple unlearning requests.

This paper presents innovative enhancements to diffusion models by integrating a novel multi-resolution network and time-dependent layer normalization. Diffusion models have gained prominence for their effectiveness in high-fidelity image generation. While conventional approaches rely on convolutional U-Net architectures, recent Transformer-based designs have demonstrated superior performance and scalability. However, Transformer architectures, which tokenize input data (via "patchification"), face a trade-off between visual fidelity and computational complexity due to the quadratic nature of self-attention operations concerning token length. While larger patch sizes enable attention computation efficiency, they struggle to capture fine-grained visual details, leading to image distortions. To address this challenge, we propose augmenting the **Di**ffusion model with the **M**ulti-**R**esolution network (DiMR), a framework that refines features across multiple resolutions, progressively enhancing detail from low to high resolution. Additionally, we introduce Time-Dependent Layer Normalization (TD-LN), a parameter-efficient approach that incorporates time-dependent parameters into layer normalization to inject time information and achieve superior performance. Our method's efficacy is demonstrated on the class-conditional ImageNet generation benchmark, where DiMR-XL variants surpass previous diffusion models, achieving FID scores of 1.70 on ImageNet $256 \times 256$ and 2.89 on ImageNet $512 \times 512$. Our best variant, DiMR-G, further establishes a state-of-the-art 1.63 FID on ImageNet $256 \times 256$.

Performative learning addresses the increasingly pervasive situations in which algorithmic decisions may induce changes in the data distribution as a consequence of their public deployment. We propose a novel view in which these performative effects are modelled as push forward measures. This general framework encompasses existing models and enables novel performative gradient estimation methods, leading to more efficient and scalable learning strategies. For distribution shifts, unlike previous models which require full specification of the data distribution, we only assume knowledge of the shift operator that represents the performative changes. This approach can also be integrated into various change-of-variable-based models, such as VAEs or normalizing flows. Focusing on classification with a linear-in-parameters performative effect, we prove the convexity of the performative risk under a new set of assumptions. Notably, we do not limit the strength of performative effects but rather their direction, requiring only that classification becomes harder when deploying more accurate models. In this case, we also establish a connection with adversarially robust classification by reformulating the performative risk as a min-max variational problem. Finally, we illustrate our approach on synthetic and real datasets.

Offline reinforcement learning (RL) has progressed with return-conditioned supervised learning (RCSL), but its lack of stitching ability remains a limitation. We introduce $Q$-Aided Conditional Supervised Learning (QCS), which effectively combines the stability of RCSL with the stitching capability of $Q$-functions. By analyzing $Q$-function over-generalization, which impairs stable stitching, QCS adaptively integrates $Q$-aid into RCSL's loss function based on trajectory return. Empirical results show that QCS significantly outperforms RCSL and value-based methods, consistently achieving or exceeding the highest trajectory returns across diverse offline RL benchmarks. QCS represents a breakthrough in offline RL, pushing the limits of what can be achieved and fostering further innovations.

Many algorithms for aligning LLMs with human preferences assume that human preferences are binary and deterministic. However, human preferences can vary across individuals, and therefore should be represented distributionally. In this work, we introduce the distributional soft preference labels and improve Direct Preference Optimization (DPO) with a weighted geometric average of the LLM output likelihood in the loss function. This approach adjusts the scale of learning loss based on the soft labels such that the loss would approach zero when the responses are closer to equally preferred. This simple modification can be easily applied to any DPO-based methods and mitigate over-optimization and objective mismatch, which prior works suffer from. Our experiments simulate the soft preference labels with AI feedback from LLMs and demonstrate that geometric averaging consistently improves performance on standard benchmarks for alignment research. In particular, we observe more preferable responses than binary labels and significant improvements where modestly-confident labels are in the majority.

Tokenizers serve as crucial interfaces between models and linguistic data, substantially influencing the efficacy and precision of large language models (LLMs). Traditional tokenization methods often rely on static frequency-based statistics and are not inherently synchronized with LLM architectures, which may limit model performance. In this study, we propose a simple but effective method to learn tokenizers specifically engineered for seamless integration with LLMs. Initiating with a broad initial vocabulary, we refine our tokenizer by monitoring changes in the model’s perplexity during training, allowing for the selection of a tokenizer that is closely aligned with the model’s evolving dynamics. Through iterative refinement, we develop an optimized tokenizer. Our empirical evaluations demonstrate that this adaptive approach significantly enhances accuracy compared to conventional methods, maintaining comparable vocabulary sizes and affirming its potential to improve LLM functionality.

The Normalized cut (NCut) problem is a fundamental and yet notoriously difficult one in the unsupervised clustering field. Because the NCut problem is fractionally structured, the fractional programming (FP) based approach has worked its way into a new frontier. However, the conventional FP techniques are insufficient: the classic Dinkelbach's transform can only deal with a single ratio and hence is limited to the two-class clustering, while the state-of-the-art quadratic transform accounts for multiple ratios but fails to convert the NCut problem to a tractable form. This work advocates a novel extension of the quadratic transform to the multidimensional ratio case, thereby recasting the fractional 0-1 NCut problem into a bipartite matching problem---which can be readily solved in an iterative manner. Furthermore, we explore the connection between the proposed multidimensional FP method and the minorization-maximization theory to verify the convergence.

Large multimodal models (LMMs) are processing increasingly longer and richer inputs. Albeit the progress, few public benchmark is available to measure such development. To mitigate this gap, we introduce LongVideoBench, a question-answering benchmark that features video-language interleaved inputs up to an hour long. Our benchmark includes 3,763 varying-length web-collected videos with their subtitles across diverse themes, designed to comprehensively evaluate LMMs on long-term multimodal understanding. To achieve this, we interpret the primary challenge as to accurately retrieve and reason over detailed multimodal information from long inputs. As such, we formulate a novel video question-answering task termed referring reasoning. Specifically, as part of the question, it contains a referring query that references related video contexts, called referred context. The model is then required to reason over relevant video details from the referred context. Following the paradigm of referring reasoning, we curate 6,678 human-annotated multiple-choice questions in 17 fine-grained categories, establishing one of the most comprehensive benchmarks for long-form video understanding. Evaluations suggest that the LongVideoBench presents significant challenges even for the most advanced proprietary models (e.g. GPT-4o, Gemini-1.5-Pro), while their open-source counterparts show an even larger performance gap. In addition, our results indicate that model performance on the benchmark improves only when they are capable of processing more frames, positioning LongVideoBench as a valuable benchmark for evaluating future-generation long-context LMMs.

We consider the problem of multiclass transductive online learning when the number of labels can be unbounded. Previous works by Ben-David et al. [1997] and Hanneke et al. [2024] only consider the case of binary and finite label spaces respectively. The latter work determined that their techniques fail to extend to the case of unbounded label spaces, and they pose the question of characterizing the optimal mistake bound for unbounded label spaces. We answer this question, by showing that a new dimension, termed the Level-constrained Littlestone dimension, characterizes online learnability in this setting. Along the way, we show that the trichotomy of possible minimax rates established by Hanneke et al. [2024] for finite label spaces in the realizable setting continues to hold even when the label space is unbounded. In particular, if the learner plays for $T \in \mathbb{N}$ rounds, its minimax expected number of mistakes can only grow like $\Theta(T)$, $\Theta(\log T)$, or $\Theta(1)$. To prove this result, we give another combinatorial dimension, termed the Level-constrained Branching dimension, and show that its finiteness characterizes constant minimax expected mistake-bounds. The trichotomy is then determined by a combination of the Level-constrained Littlestone and Branching dimensions. Quantitatively, our upper bounds improve upon existing multiclass upper bounds in Hanneke et al. [2024] by removing the dependence on the label set size. In doing so, we explicitly construct learning algorithms that can handle extremely large or unbounded label spaces. A key component of our algorithm is a new notion of shattering that exploits the sequential nature of transductive online learning. Finally, we complete our results by proving expected regret bounds in the agnostic setting, extending the result of Hanneke et al. [2024].

Most currently deployed LLMs undergo continuous training or additional finetuning. By contrast, most research into LLMs' internal mechanisms focuses on models at one snapshot in time (the end of pre-training), raising the question of whether their results generalize to real-world settings. Existing studies of mechanisms over time focus on encoder-only or toy models, which differ significantly from most deployed models. In this study, we track how model mechanisms, operationalized as circuits, emerge and evolve across 300 billion tokens of training in decoder-only LLMs, in models ranging from 70 million to 2.8 billion parameters. We find that task abilities and the functional components that support them emerge consistently at similar token counts across scale. Moreover, although such components may be implemented by different attention heads over time, the overarching algorithm that they implement remains. Surprisingly, both these algorithms and the types of components involved therein tend to replicate across model scale. Finally, we find that circuit size correlates with model size and can fluctuate considerably over time even when the same algorithm is implemented. These results suggest that circuit analyses conducted on small models at the end of pre-training can provide insights that still apply after additional training and over model scale.