Datasets:

ICLR2024

/

ICLR2024-papers

like 2

Poster

Predictive uncertainty--a model’s self-awareness regarding its accuracy on an input--is key for both building robust models via training interventions and for test-time applications such as selective classification. We propose a novel instance-conditional reweighting approach that captures predictive uncertainty using an auxiliary network, and unifies these train- and test-time applications. The auxiliary network is trained using a meta-objective in a bilevel optimization framework. A key contribution of our proposal is the meta-objective of minimizing dropout variance, an approximation of Bayesian predictive uncertainty, We show in controlled experiments that we effectively capture diverse specific notions of uncertainty through this meta-objective, while previous approaches only capture certain aspects. These results translate to significant gains in real-world settings–selective classification, label noise, domain adaptation, calibration–and across datasets–Imagenet, Cifar100, diabetic retinopathy, Camelyon, WILDs, Imagenet-C,-A,-R, Clothing-1.6M, etc. For Diabetic Retinopathy, we see upto 3.4\%/3.3\% accuracy & AUC gains over SOTA in selective classification. We also improve upon large-scale pretrained models such as PLEX.

Learning model uncertainty as variance-minimizing instance weights

https://openreview.net/forum?id=bDWXhzZT40

Poster

Denoisers play a central role in many applications, from noise suppression in low-grade imaging sensors, to empowering score-based generative models. The latter category of methods makes use of Tweedie's formula, which links the posterior mean in Gaussian denoising (*i*.*e*., the minimum MSE denoiser) with the score of the data distribution. Here, we derive a fundamental relation between the higher-order central moments of the posterior distribution, and the higher-order derivatives of the posterior mean. We harness this result for uncertainty quantification of pre-trained denoisers. Particularly, we show how to efficiently compute the principal components of the posterior distribution for any desired region of an image, as well as to approximate the full marginal distribution along those (or any other) one-dimensional directions. Our method is fast and memory-efficient, as it does not explicitly compute or store the high-order moment tensors and it requires no training or fine tuning of the denoiser. Code and examples are available on the project [website](https://hilamanor.github.io/GaussianDenoisingPosterior/).

On the Posterior Distribution in Denoising: Application to Uncertainty Quantification

2309.13598

https://openreview.net/forum?id=adSGeugiuj

Poster

Multi-Task Reinforcement Learning (MTRL) tackles the long-standing problem of endowing agents with skills that generalize across a variety of problems. To this end, sharing representations plays a fundamental role in capturing both unique and common characteristics of the tasks. Tasks may exhibit similarities in terms of skills, objects, or physical properties while leveraging their representations eases the achievement of a universal policy. Nevertheless, the pursuit of learning a shared set of diverse representations is still an open challenge. In this paper, we introduce a novel approach for representation learning in MTRL that encapsulates common structures among the tasks using orthogonal representations to promote diversity. Our method, named Mixture Of Orthogonal Experts (MOORE), leverages a Gram-Schmidt process to shape a shared subspace of representations generated by a mixture of experts. When task-specific information is provided, MOORE generates relevant representations from this shared subspace. We assess the effectiveness of our approach on two MTRL benchmarks, namely MiniGrid and MetaWorld, showing that MOORE surpasses related baselines and establishes a new state-of-the-art result on MetaWorld.

Multi-Task Reinforcement Learning with Mixture of Orthogonal Experts

2311.11385

https://openreview.net/forum?id=aZH1dM3GOX

Poster

In reinforcement learning, agents often learn policies for specific tasks without the ability to generalize this knowledge to related tasks. This paper introduces an algorithm that attempts to address this limitation by decomposing neural networks encoding policies for Markov Decision Processes into reusable sub-policies, which are used to synthesize temporally extended actions, or options. We consider neural networks with piecewise linear activation functions, so that they can be mapped to an equivalent tree that is similar to oblique decision trees. Since each node in such a tree serves as a function of the input of the tree, each sub-tree is a sub-policy of the main policy. We turn each of these sub-policies into options by wrapping it with while-loops of varied number of iterations. Given the large number of options, we propose a selection mechanism based on minimizing the Levin loss for a uniform policy on these options. Empirical results in two grid-world domains where exploration can be difficult confirm that our method can identify useful options, thereby accelerating the learning process on similar but different tasks.

Unveiling Options with Neural Network Decomposition

https://openreview.net/forum?id=a8VETFwcVR

Poster

We characterize the statistical efficiency of knowledge transfer through $n$ samples from a teacher to a probabilistic student classifier with input space $\mathcal{S}$ over labels $\mathcal{A}$. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate $\sqrt{{|\mathcal{S}||\mathcal{A}|}/{n}}$. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to ${{|\mathcal{S}||\mathcal{A}|}/{n}}$. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on $\mathcal{A}$ given every sampled input, thereby provably enables the student to enjoy a rate ${|\mathcal{S}|}/{n}$ free of $|\mathcal{A}|$. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

Towards the Fundamental Limits of Knowledge Transfer over Finite Domains

2310.07838

https://openreview.net/forum?id=Zh2iqiOtMt

Poster

Modern neural recording techniques allow neuroscientists to obtain spiking activity of multiple neurons from different brain regions over long time periods, which requires new statistical methods to be developed for understanding structure of the large-scale data. In this paper, we develop a bi-clustering method to cluster the neural spiking activity spatially and temporally, according to their low-dimensional latent structures. The spatial (neuron) clusters are defined by the latent trajectories within each neural population, while the temporal (state) clusters are defined by (populationally) synchronous local linear dynamics shared with different periods. To flexibly extract the bi-clustering structure, we build the model non-parametrically, and develop an efficient Markov chain Monte Carlo (MCMC) algorithm to sample the posterior distributions of model parameters. Validating our proposed MCMC algorithm through simulations, we find the method can recover unknown parameters and true bi-clustering structures successfully. We then apply the proposed bi-clustering method to multi-regional neural recordings under different experiment settings, where we find that simultaneously considering latent trajectories and spatial-temporal clustering structures can provide us with a more accurate and interpretable result. Overall, the proposed method provides scientific insights for large-scale (counting) time series with elongated recording periods, and it can potentially have application beyond neuroscience.

Bayesian Bi-clustering of Neural Spiking Activity with Latent Structures

2309.02213

https://openreview.net/forum?id=ZYm1Ql6udy

Poster

Data augmentation is one of the most prevalent tools in deep learning, underpinning many recent advances, including those from classification, generative models, and representation learning. The standard approach to data augmentation combines simple transformations like rotations and flips to generate new images from existing ones. However, these new images lack diversity along key semantic axes present in the data. Current augmentations cannot alter the high-level semantic attributes, such as animal species present in a scene, to enhance the diversity of data. We address the lack of diversity in data augmentation with image-to-image transformations parameterized by pre-trained text-to-image diffusion models. Our method edits images to change their semantics using an off-the-shelf diffusion model, and generalizes to novel visual concepts from a few labelled examples. We evaluate our approach on few-shot image classification tasks, and on a real-world weed recognition task, and observe an improvement in accuracy in tested domains.

Effective Data Augmentation With Diffusion Models

2302.07944

https://openreview.net/forum?id=ZWzUA9zeAg

Poster

SGD and AdamW are the two most used optimizers for fine-tuning large neural networks in computer vision. When the two methods perform the same, SGD is preferable because it uses less memory (12 bytes/parameter with momentum and 8 bytes/parameter without) than AdamW (16 bytes/parameter). However, on a suite of downstream tasks, especially those with distribution shifts, we find that fine-tuning with AdamW performs substantially better than SGD on modern Vision Transformer and ConvNeXt models. We find that large gaps in performance between SGD and AdamW occur when the fine-tuning gradients in the first "embedding" layer are much larger than in the rest of the model. Our analysis suggests an easy fix that works consistently across datasets and models: freezing the embedding layer (less than 1% of the parameters) leads to SGD with or without momentum performing slightly better than AdamW while using less memory (e.g., on ViT-L, SGD uses 33% less GPU memory). Our insights result in state-of-the-art accuracies on five popular distribution shift benchmarks: WILDS-FMoW, WILDS-Camelyon, BREEDS-Living-17, Waterbirds, and DomainNet.

How to Fine-Tune Vision Models with SGD

2211.09359

https://openreview.net/forum?id=ZTssMmhC2X

Poster

In Causal Bayesian Optimization (CBO), an agent intervenes on an unknown structural causal model to maximize a downstream reward variable. In this paper, we consider the generalization where other agents or external events also intervene on the system, which is key for enabling adaptiveness to non-stationarities such as weather changes, market forces, or adversaries. We formalize this generalization of CBO as Adversarial Causal Bayesian Optimization (ACBO) and introduce the first algorithm for ACBO with bounded regret: Causal Bayesian Optimization with Multiplicative Weights (CBO-MW). Our approach combines a classical online learning strategy with causal modeling of the rewards. To achieve this, it computes optimistic counterfactual reward estimates by propagating uncertainty through the causal graph. We derive regret bounds for CBO-MW that naturally depend on graph-related quantities. We further propose a scalable implementation for the case of combinatorial interventions and submodular rewards. Empirically, CBO-MW outperforms non-causal and non-adversarial Bayesian optimization methods on synthetic environments and environments based on real-word data. Our experiments include a realistic demonstration of how CBO-MW can be used to learn users' demand patterns in a shared mobility system and reposition vehicles in strategic areas.

Adversarial Causal Bayesian Optimization

2307.16625

https://openreview.net/forum?id=YcW8i9VCf5

Poster

Test-time adaptation (TTA) addresses distribution shifts for streaming test data in unsupervised settings. Currently, most TTA methods can only deal with minor shifts and rely heavily on heuristic and empirical studies. To advance TTA under domain shifts, we propose the novel problem setting of active test-time adaptation (ATTA) that integrates active learning within the fully TTA setting. We provide a learning theory analysis, demonstrating that incorporating limited labeled test instances enhances overall performances across test domains with a theoretical guarantee. We also present a sample entropy balancing for implementing ATTA while avoiding catastrophic forgetting (CF). We introduce a simple yet effective ATTA algorithm, known as SimATTA, using real-time sample selection techniques. Extensive experimental results confirm consistency with our theoretical analyses and show that the proposed ATTA method yields substantial performance improvements over TTA methods while maintaining efficiency and shares similar effectiveness to the more demanding active domain adaptation (ADA) methods.

Active Test-Time Adaptation: Theoretical Analyses and An Algorithm

2404.05094

https://openreview.net/forum?id=YHUGlwTzFB

Poster

Multi-modal models have shown a promising capability to effectively integrate information from various sources, yet meanwhile, they are found vulnerable to pervasive perturbations, such as uni-modal attacks and missing conditions. To counter these perturbations, robust multi-modal representations are highly expected, which are positioned well away from the discriminative multi-modal decision boundary. In this paper, different from conventional empirical studies, we focus on a commonly used joint multi-modal framework and theoretically discover that larger uni-modal representation margins and more reliable integration for modalities are essential components for achieving higher robustness. This discovery can further explain the limitation of multi-modal robustness and the phenomenon that multi-modal models are often vulnerable to attacks on the specific modality. Moreover, our analysis reveals how the widespread issue, that the model has different preferences for modalities, limits the multi-modal robustness by influencing the essential components and could lead to attacks on the specific modality highly effective. Inspired by our theoretical finding, we introduce a training procedure called Certifiable Robust Multi-modal Training (CRMT), which can alleviate this influence from modality preference and explicitly regulate essential components to significantly improve robustness in a certifiable manner. Our method demonstrates substantial improvements in performance and robustness compared with existing methods. Furthermore, our training procedure can be easily extended to enhance other robust training strategies, highlighting its credibility and flexibility.

Quantifying and Enhancing Multi-modal Robustness with Modality Preference

2402.06244

https://openreview.net/forum?id=XyrB1Ay44j

Poster

Large language models are becoming the go-to solution for various language tasks.However, with growing capacity, models are prone to rely on spurious correlations stemming from biases and stereotypes present in the training data.This work proposes a novel method for detecting and mitigating gender bias in language models.We perform causal analysis to identify problematic model components and discover that mid-upper feed-forward layers are most prone to convey biases.Based on the analysis results, we adapt the model by multiplying these layers by a linear projection.Our titular method DAMA significantly decreases bias as measured by diverse metrics while maintaining the model's performance on downstream tasks.We release code for our method and models, which retrain LLaMA's state-of-the-art performance while being significantly less biased.

Debiasing Algorithm through Model Adaptation

2310.18913

https://openreview.net/forum?id=XIZEFyVGC9

Poster

Despite the success of deep learning for text and image data, tree-based ensemble models are still state-of-the-art for machine learning with heterogeneous tabular data. However, there is a significant need for tabular-specific gradient-based methods due to their high flexibility. In this paper, we propose $\text{GRANDE}$, $\text{GRA}$die$\text{N}$t-Based $\text{D}$ecision Tree $\text{E}$nsembles, a novel approach for learning hard, axis-aligned decision tree ensembles using end-to-end gradient descent. GRANDE is based on a dense representation of tree ensembles, which affords to use backpropagation with a straight-through operator to jointly optimize all model parameters. Our method combines axis-aligned splits, which is a useful inductive bias for tabular data, with the flexibility of gradient-based optimization. Furthermore, we introduce an advanced instance-wise weighting that facilitates learning representations for both, simple and complex relations, within a single model. We conducted an extensive evaluation on a predefined benchmark with 19 classification datasets and demonstrate that our method outperforms existing gradient-boosting and deep learning frameworks on most datasets.

GRANDE: Gradient-Based Decision Tree Ensembles for Tabular Data

2309.17130

https://openreview.net/forum?id=XEFWBxi075

Poster

Transformers have emerged as the architecture of choice for for many state-of-the-art AI models, showcasing exceptional performance across a wide range of AI applications. However, the memory demands imposed by Transformers limit their ability to handle long sequences, thereby creating challenges for tasks involving extended sequences or long-term dependencies. We present a distinct approach, Ring Attention, which leverages blockwise computation of self-attention to distribute long sequences across multiple devices while concurrently overlapping the communication of key-value blocks between devices through blockwise attention computation. By processing longer input sequences while maintaining memory efficiency, Ring Attention enables training and inference of sequences that exceed 100 million tokens in length, allowing length to scale proportionally with the number of devices, effectively eliminating the memory constraints imposed by individual devices. Extensive experiments on language modeling tasks demonstrate the effectiveness of Ring Attention in reducing memory requirements and improving performance.

RingAttention with Blockwise Transformers for Near-Infinite Context

https://openreview.net/forum?id=WsRHpHH4s0

Poster

Variational Autoencoders (VAEs) have gained significant popularity among researchers as a powerful tool for understanding unknown distributions based on limited samples. This popularity stems partly from their impressive performance and partly from their ability to provide meaningful feature representations in the latent space. Wasserstein Autoencoders (WAEs), a variant of VAEs, aim to not only improve model efficiency but also interpretability. However, there has been limited focus on analyzing their statistical guarantees. The matter is further complicated by the fact that the data distributions to which WAEs are applied - such as natural images - are often presumed to possess an underlying low-dimensional structure within a high-dimensional feature space, which current theory does not adequately account for, rendering known bounds inefficient. To bridge the gap between the theory and practice of WAEs, in this paper, we show that WAEs can learn the data distributions when the network architectures are properly chosen. We show that the convergence rates of the expected excess risk in the number of samples for WAEs are independent of the high feature dimension, instead relying only on the intrinsic dimension of the data distribution.

A Statistical Analysis of Wasserstein Autoencoders for Intrinsically Low-dimensional Data

2402.15710

https://openreview.net/forum?id=WjRPZsfeBO

Poster

Despite the recent advances in the field of computational Schrodinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., $k$-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schrodinger potentials with sum-exp quadratic functions and (b) viewing the log-Schrodinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs.

Light Schrödinger Bridge

https://openreview.net/forum?id=WhZoCLRWYJ

Poster

We study the problem of modeling a population of agents pursuing unknown goals subject to unknown computational constraints. In standard models of bounded rationality, sub-optimal decision-making is simulated by adding homoscedastic noise to optimal decisions rather than actually simulating constrained inference. In this work, we introduce a latent inference budget model (L-IBM) that models these constraints explicitly, via a latent variable (inferred jointly with a model of agents’ goals) that controls the runtime of an iterative inference algorithm. L-IBMs make it possible to learn agent models using data from diverse populations of suboptimal actors. In three modeling tasks—inferring navigation goals from routes, inferring communicative intents from human utterances, and predicting next moves in human chess games—we show that L-IBMs match or outperforms Boltzmann models of decision-making under uncertainty. Moreover, the inferred inference budgets are themselves meaningful, efficient to compute, and correlated with measures of player skill, partner skill and task difficulty.

Modeling Boundedly Rational Agents with Latent Inference Budgets

2312.04030

https://openreview.net/forum?id=W3VsHuga3j

Poster

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed \emph{solver schedule} has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose $S^3$, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that $S^3$ can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet-64, and LSUN-Bedroom datasets. Specifically, we achieve 3.09 FID with 9 NFE and 7.65 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply $S^3$ to Stable-Diffusion model and get an acceleration ratio of 2$\times$, showing the feasibility of sampling in very few steps without retraining of the neural network.

A Unified Sampling Framework for Solver Searching of Diffusion Probabilistic Models

2312.07243

https://openreview.net/forum?id=W2d3LZbhhI

Poster

Out-of-distribution (OOD) generalization is critical for machine learning models deployed in the real world. However, achieving this can be fundamentally challenging, as it requires the ability to learn invariant features across different domains or environments. In this paper, we propose a novel framework HYPO (HYPerspherical OOD generalization) that provably learns domain-invariant representations in a hyperspherical space. In particular, our hyperspherical learning algorithm is guided by intra-class variation and inter-class separation principles—ensuring that features from the same class (across different training domains) are closely aligned with their class prototypes, while different class prototypes are maximally separated. We further provide theoretical justifications on how our prototypical learning objective improves the OOD generalization bound. Through extensive experiments on challenging OOD benchmarks, we demonstrate that our approach outperforms competitive baselines and achieves superior performance. Code is available at https://github.com/deeplearning-wisc/hypo.

HYPO: Hyperspherical Out-Of-Distribution Generalization

2402.07785

https://openreview.net/forum?id=VXak3CZZGC

Poster

The truthfulness of existing explanation methods in authentically elucidating theunderlying model’s decision-making process has been questioned. Existing meth-ods have deviated from faithfully representing the model, thus susceptible toadversarial attacks. To address this, we propose a novel eXplainable AI (XAI)method called SRD (Sharing Ratio Decomposition), which sincerely reflects themodel’s inference process, resulting in significantly enhanced robustness in ourexplanations. Different from the conventional emphasis on the neuronal level, weadopt a vector perspective to consider the intricate nonlinear interactions betweenfilters. We also introduce an interesting observation termed Activation-Pattern-Only Prediction (APOP), letting us emphasize the importance of inactive neuronsand redefine relevance encapsulating all relevant information including both activeand inactive neurons. Our method, SRD, allows for the recursive decomposition ofa Pointwise Feature Vector (PFV), providing a high-resolution Effective ReceptiveField (ERF) at any layer.

Respect the model: Fine-grained and Robust Explanation with Sharing Ratio Decomposition

2402.03348

https://openreview.net/forum?id=U7VW3KBm34

Poster

Synthesizing novel 3D models that resemble the input example as long been pursued by graphics artists and machine learning researchers. In this paper, we present Sin3DM, a diffusion model that learns the internal patch distribution from a single 3D textured shapeand generates high-quality variations with fine geometry and texture details. Training a diffusion model directly in 3D would induce large memory and computational cost. Therefore, we first compress the input into a lower-dimensional latent space and then train a diffusion model on it. Specifically, we encode the input 3D textured shape into triplane feature maps that represent the signed distance and texture fields of the input. The denoising network of our diffusion model has a limited receptive field to avoid overfitting, and uses triplane-aware 2D convolution blocks to improve the result quality. Aside from randomly generating new samples, our model also facilitates applications such as retargeting, outpainting and local editing. Through extensive qualitative and quantitative evaluation, we show that our method outperforms prior methods in generation quality of 3D shapes.

Sin3DM: Learning a Diffusion Model from a Single 3D Textured Shape

2305.15399

https://openreview.net/forum?id=U0IOMStUQ8

Spotlight Poster

Deep-learning models can extract a rich assortment of features from data. Which features a model uses depends not only on *predictivity*---how reliably a feature indicates train-set labels---but also on *availability*---how easily the feature can be extracted, or leveraged, from inputs. The literature on shortcut learning has noted examples in which models privilege one feature over another, for example texture over shape and image backgrounds over foreground objects. Here, we test hypotheses about which input properties are more available to a model, and systematically study how predictivity and availability interact to shape models' feature use. We construct a minimal, explicit generative framework for synthesizing classification datasets with two latent features that vary in predictivity and in factors we hypothesize to relate to availability, and quantify a model's shortcut bias---its over-reliance on the shortcut (more available, less predictive) feature at the expense of the core (less available, more predictive) feature. We find that linear models are relatively unbiased, but introducing a single hidden layer with ReLU or Tanh units yields a bias. Our empirical findings are consistent with a theoretical account based on Neural Tangent Kernels. Finally, we study how models used in practice trade off predictivity and availability in naturalistic datasets, discovering availability manipulations which increase models' degree of shortcut bias. Taken together, these findings suggest that the propensity to learn shortcut features is a fundamental characteristic of deep nonlinear architectures warranting systematic study given its role in shaping how models solve tasks.

On the Foundations of Shortcut Learning

2310.16228

https://openreview.net/forum?id=Tj3xLVuE9f

Poster

Research on conversation has put emphasis on the importance of a multi-level communication system, in which the interlocutors aim to establish and maintain common ground. In natural conversations, repair mechanisms such as clarification requests are frequently used to improve mutual understanding.Here we explore the effects of conversational repair on languages emerging in signaling games. We extend the basic Lewis signaling game setup with a feedback channel that allows for the transmission of messages backwards from the receiver to the sender. Further, we add noise to the communication channel so that repair mechanisms become necessary for optimal performance.We find that for models that were trained with a feedback channel the sender agents produce less compositional messages. However, they still achieve a substantially higher generalization performance, putting to question the role of compositionality for generalization.These findings generalize also to a more realistic case involving naturalistic images in a guessing game setup.More broadly, this study provides an important step towards the creation of signaling games that more closely resemble the conditions under which human languages emerged.

Emergent Communication with Conversational Repair

https://openreview.net/forum?id=Sy8upuD6Bw

Poster

Large Language Models (LLMs) have achieved remarkable success in reasoning tasks with the development of prompting methods. However, existing prompting approaches cannot reuse insights of solving similar problems and suffer from accumulated errors in multi-step reasoning, since they prompt LLMs to reason \textit{from scratch}.To address these issues, we propose \textbf{\textit{Thought Propagation} (TP)}, which explores the analogous problems and leverages their solutions to enhance the complex reasoning ability of LLMs.These analogous problems are related to the input one, with reusable solutions and problem-solving strategies.Thus, it is promising to propagate insights of solving previous analogous problems to inspire new problem-solving. To achieve this, TP first prompts LLMs to propose and solve a set of analogous problems that are related to the input one. Then, TP reuses the results of analogous problems to directly yield a new solution or derive a knowledge-intensive plan for execution to amend the initial solution obtained from scratch.TP is compatible with existing prompting approaches, allowing plug-and-play generalization and enhancement in a wide range of tasks without much labor in task-specific prompt engineering. Experiments across three challenging tasks demonstrate TP enjoys a substantial improvement over the baselines by an average of 12\% absolute increase in finding the optimal solutions in Shortest-path Reasoning, 13\% improvement of human preference in Creative Writing, and 15\% enhancement in the task completion rate of LLM-Agent Planning.

THOUGHT PROPAGATION: AN ANALOGICAL APPROACH TO COMPLEX REASONING WITH LARGE LANGUAGE MODELS

2310.03965

https://openreview.net/forum?id=SBoRhRCzM3

Poster

Recent large language models (LLMs) have demonstrated great potential toward intelligent agents and next-gen automation, but there currently lacks a systematic benchmark for evaluating LLMs' abilities as agents. We introduce SmartPlay: both a challenging benchmark and a methodology for evaluating LLMs as agents. SmartPlay consists of 6 different games, including Rock-Paper-Scissors, Tower of Hanoi, Minecraft. Each game features a unique setting, providing up to 20 evaluation settings and infinite environment variations. Each game in SmartPlay uniquely challenges a subset of 9 important capabilities of an intelligent LLM agent, including reasoning with object dependencies, planning ahead, spatial reasoning, learning from history, and understanding randomness. The distinction between the set of capabilities each game test allows us to analyze each capability separately.SmartPlay serves not only as a rigorous testing ground for evaluating the overall performance of LLM agents but also as a road-map for identifying gaps in current methodologies. We release our benchmark at github.com/LLMsmartplay/SmartPlay

SmartPlay : A Benchmark for LLMs as Intelligent Agents

2310.01557

https://openreview.net/forum?id=S2oTVrlcp3

Poster

Although diffusion models (DMs) have shown promising performances in a number of tasks (e.g., speech synthesis and image generation), they might suffer from error propagation because of their sequential structure. However, this is not certain because some sequential models, such as Conditional Random Field (CRF), are free from this problem. To address this issue, we develop a theoretical framework to mathematically formulate error propagation in the architecture of DMs, The framework contains three elements, including modular error, cumulative error, and propagation equation. The modular and cumulative errors are related by the equation, which interprets that DMs are indeed affected by error propagation. Our theoretical study also suggests that the cumulative error is closely related to the generation quality of DMs. Based on this finding, we apply the cumulative error as a regularization term to reduce error propagation. Because the term is computationally intractable, we derive its upper bound and design a bootstrap algorithm to efficiently estimate the bound for optimization. We have conducted extensive experiments on multiple image datasets, showing that our proposed regularization reduces error propagation, significantly improves vanilla DMs, and outperforms previous baselines.

On Error Propagation of Diffusion Models

2308.05021

https://openreview.net/forum?id=RtAct1E2zS

Poster

RL algorithms that learn from human feedback (RLHF) need to be efficient in terms of *statistical complexity, computational complexity, and query complexity*. In this work, we consider the RLHF setting where the feedback is given in the format of preferences over pairs of trajectories. In the linear MDP model, by using randomization in algorithm design, we present an algorithm that is sample efficient (i.e., has near-optimal worst-case regret bounds) and has polynomial running time (i.e., computational complexity is polynomial with respect to relevant parameters). Our algorithm further minimizes the query complexity through a novel randomized active learning procedure. Particularly, our algorithm demonstrates a near-optimal tradeoff between the regret bound and the query complexity. To extend the results to more general nonlinear function approximation, we design a model-based randomized algorithm inspired by the idea of Thompson sampling. Our algorithm minimizes Bayesian regret bound and query complexity, again achieving a near-optimal tradeoff between these two quantities. Computation-wise, similar to the prior Thompson sampling algorithms under the regular RL setting, the main computation primitives of our algorithm are Bayesian supervised learning oracles which have been heavily investigated on the empirical side when applying Thompson sampling algorithms to RL benchmark problems.

Making RL with Preference-based Feedback Efficient via Randomization

2310.14554

https://openreview.net/forum?id=Pe2lo3QOvo

Poster

Building agents with large language models (LLMs) for computer control is a burgeoning research area, where the agent receives computer states and performs actions to complete complex tasks. Previous computer agents have demonstrated the benefits of in-context learning (ICL); however, their performance is hindered by several issues. First, the limited context length of LLMs and complex computer states restrict the number of exemplars, as a single webpage can consume the entire context. Second, the exemplars in current methods, such as high-level plans and multi-choice questions, cannot represent complete trajectories, leading to suboptimal performance in long-horizon tasks. Third, existing computer agents rely on task-specific exemplars and overlook the similarity among tasks, resulting in poor generalization to novel tasks. To address these challenges, we introduce Synapse, a computer agent featuring three key components: i) state abstraction, which filters out task-irrelevant information from raw states, allowing more exemplars within the limited context, ii) trajectory-as-exemplar prompting, which prompts the LLM with complete trajectories of the abstracted states and actions to improve multi-step decision-making, and iii) exemplar memory, which stores the embeddings of exemplars and retrieves them via similarity search for generalization to novel tasks. We evaluate Synapse on MiniWoB++, a standard task suite, and Mind2Web, a real-world website benchmark. In MiniWoB++, Synapse achieves a 99.2% average success rate (a 10% relative improvement) across 64 tasks using demonstrations from only 48 tasks. Notably, Synapse is the first ICL method to solve the book-flight task in MiniWoB++. Synapse also exhibits a 56% relative improvement in average step success rate over the previous state-of-the-art prompting scheme in Mind2Web.

Synapse: Trajectory-as-Exemplar Prompting with Memory for Computer Control

2306.07863

https://openreview.net/forum?id=Pc8AU1aF5e

Poster

Dataset distillation extracts a small set of synthetic training samples from a large dataset with the goal of achieving competitive performance on test data when trained on this sample. In this work, we tackle dataset distillation at its core by treating it directly as a bilevel optimization problem. Re-examining the foundational back-propagation through time method, we study the pronounced variance in the gradients, computational burden, and long-term dependencies. We introduce an improved method: Random Truncated Backpropagation Through Time (RaT-BPTT) to address them. RaT-BPTT incorporates a truncation coupled with a random window, effectively stabilizing the gradients and speeding up the optimization while covering long dependencies. This allows us to establish new state-of-the-art for a variety of standard dataset benchmarks. A deeper dive into the nature of distilled data unveils pronounced intercorrelation. In particular, subsets of distilled datasets tend to exhibit much worse performance than directly distilled smaller datasets of the same size. Leveraging RaT-BPTT, we devise a boosting mechanism that generates distilled datasets that contain subsets with near optimal performance across different data budgets.

Embarrassingly Simple Dataset Distillation

https://openreview.net/forum?id=PLoWVP7Mjc

Spotlight Poster

TD-MPC is a model-based reinforcement learning (RL) algorithm that performs local trajectory optimization in the latent space of a learned implicit (decoder-free) world model. In this work, we present TD-MPC2: a series of improvements upon the TD-MPC algorithm. We demonstrate that TD-MPC2 improves significantly over baselines across 104 online RL tasks spanning 4 diverse task domains, achieving consistently strong results with a single set of hyperparameters. We further show that agent capabilities increase with model and data size, and successfully train a single 317M parameter agent to perform 80 tasks across multiple task domains, embodiments, and action spaces. We conclude with an account of lessons, opportunities, and risks associated with large TD-MPC2 agents.Explore videos, models, data, code, and more at https://tdmpc2.com

TD-MPC2: Scalable, Robust World Models for Continuous Control

https://openreview.net/forum?id=Oxh5CstDJU

Poster

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Learning From Simplicial Data Based on Random Walks and 1D Convolutions

2404.03434

https://openreview.net/forum?id=OsGUnYOzii

Spotlight Poster

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the the underlying function dynamics. However, the ability of Bayesian optimization to incorporate prior knowledge or beliefs about the function at hand in order to accelerate the optimization is limited, which reduces its appeal for knowledgeable practitioners with tight budgets. To allow domain experts to customize the optimization routine, we propose ColaBO, the first Bayesian-principled framework for incorporating prior beliefs beyond the typical kernel structure, such as the likely location of the optimizer or the optimal value. The generality of ColaBO makes it applicable across different Monte Carlo acquisition functions and types of user beliefs. We empirically demonstrate ColaBO's ability to substantially accelerate optimization when the prior information is accurate, and to retain approximately default performance when it is misleading.

A General Framework for User-Guided Bayesian Optimization

2311.14645

https://openreview.net/forum?id=NjU0jtXcYn

Poster

Diffusion models are the current state of the art for generating photorealistic images. Controlling the sampling process for constrained image generation tasks such as inpainting, however, remains challenging since exact conditioning on such constraints is intractable. While existing methods use various techniques to approximate the constrained posterior, this paper proposes to exploit the ability of Tractable Probabilistic Models (TPMs) to exactly and efficiently compute the constrained posterior, and to leverage this signal to steer the denoising process of diffusion models. Specifically, this paper adopts a class of expressive TPMs termed Probabilistic Circuits (PCs). Building upon prior advances, we further scale up PCs and make them capable of guiding the image generation process of diffusion models. Empirical results suggest that our approach can consistently improve the overall quality and semantic coherence of inpainted images across three natural image datasets (i.e., CelebA-HQ, ImageNet, and LSUN) with only ~10% additional computational overhead brought by the TPM. Further, with the help of an image encoder and decoder, our method can readily accept semantic constraints on specific regions of the image, which opens up the potential for more controlled image generation tasks. In addition to proposing a new framework for constrained image generation, this paper highlights the benefit of more tractable models and motivates the development of expressive TPMs.

Image Inpainting via Tractable Steering of Diffusion Models

2401.03349

https://openreview.net/forum?id=NSIVHTbZBR

Poster

Preference based Reinforcement Learning (PbRL) removes the need to hand specify a reward function by learning one from preference feedback over policy behaviors. Current approaches to PbRL do not address the credit assignment problem inherent in determining which parts of a behavior most contributed to a preference resulting in data intensive approaches and subpar reward models. We address such limitations by introducing a credit assignment strategy (PRIOR) that uses a forward dynamics world model to approximate state importance within a trajectory and then guides rewards to be proportional to state importance through an auxiliary predicted return redistribution objective. Incorporating state importance into reward learning improves the speed of policy learning, overall policy performance, and reward recovery on both locomotion and manipulation tasks. For example, PRIOR achieves 80% success rate with half the amount of data compared to baselines. The performance gains and our ablations demonstrate the benefits even a simple credit assignment strategy can have on reward learning and that state importance in forward dynamics prediction is a strong proxy for a state's contribution to a preference decision.

Hindsight PRIORs for Reward Learning from Human Preferences

2404.08828

https://openreview.net/forum?id=NLevOah0CJ

Spotlight Poster

We introduce AMAGO, an in-context Reinforcement Learning (RL) agent that uses sequence models to tackle the challenges of generalization, long-term memory, and meta-learning. Recent works have shown that off-policy learning can make in-context RL with recurrent policies viable. Nonetheless, these approaches require extensive tuning and limit scalability by creating key bottlenecks in agents' memory capacity, planning horizon, and model size. AMAGO revisits and redesigns the off-policy in-context approach to successfully train long-sequence Transformers over entire rollouts in parallel with end-to-end RL. Our agent is scalable and applicable to a wide range of problems, and we demonstrate its strong performance empirically in meta-RL and long-term memory domains. AMAGO's focus on sparse rewards and off-policy data also allows in-context learning to extend to goal-conditioned problems with challenging exploration. When combined with a multi-goal hindsight relabeling scheme, AMAGO can solve a previously difficult category of open-world domains, where agents complete many possible instructions in procedurally generated environments.

AMAGO: Scalable In-Context Reinforcement Learning for Adaptive Agents

2310.09971

https://openreview.net/forum?id=M6XWoEdmwf

Poster

We uncover a surprising phenomenon in deep reinforcement learning: training a diverse ensemble of data-sharing agents -- a well-established exploration strategy -- can significantly impair the performance of the individual ensemble members when compared to standard single-agent training. Through careful analysis, we attribute the degradation in performance to the low proportion of self-generated data in the shared training data for each ensemble member, as well as the inefficiency of the individual ensemble members to learn from such highly off-policy data. We thus name this phenomenon *the curse of diversity*. We find that several intuitive solutions -- such as a larger replay buffer or a smaller ensemble size -- either fail to consistently mitigate the performance loss or undermine the advantages of ensembling. Finally, we demonstrate the potential of representation learning to counteract the curse of diversity with a novel method named Cross-Ensemble Representation Learning (CERL) in both discrete and continuous control domains. Our work offers valuable insights into an unexpected pitfall in ensemble-based exploration and raises important caveats for future applications of similar approaches.

The Curse of Diversity in Ensemble-Based Exploration

https://openreview.net/forum?id=M3QXCOTTk4

Spotlight Poster

Comprehending natural language instructions is a charming property for 3D indoor scene synthesis systems. Existing methods suffer from directly modeling the object distributions within a scene, thereby hindering the controllability of generation. We introduce InstructScene, a novel generative framework that integrates a semantic graph prior and a layout decoder to improve controllability and fidelity for 3D scene synthesis. The proposed semantic graph prior jointly learns indoor scene appearance and layout distributions, exhibiting versatility across various generative tasks. To facilitate the benchmarking for text-driven 3D scene synthesis, we curate a high-quality dataset of scene-instruction pairs with large language and multimodal models. Extensive experimental results reveal that the proposed method surpasses existing state-of-the-art approaches by a large margin. Thorough ablation studies confirm the efficacy of crucial design components. Both our code and dataset will be publicly available after the review period.

InstructScene: Instruction-Driven 3D Indoor Scene Synthesis with Semantic Graph Prior

2402.04717

https://openreview.net/forum?id=LtuRgL03pI

Poster

Reinforcement learning tackles sequential decision-making problems by designing an agent that interacts with the environment. However, existing algorithms often treat the problem as static, calculating a point estimator for model parameters to achieve maximal expected reward (also known as value function) for the agent. They tend to overlook the stochastic nature of the agent-environment interaction system and the importance of uncertainty quantification associated with the model parameters. In our research, leveraging the Kalman filtering paradigm, we introduce a novel and scalable sampling algorithm called Langevinized Kalman Temporal-Difference (LKTD) for deep reinforcement learning. This algorithm, grounded in stochastic gradient Markov chain Monte Carlo (SGMCMC), efficiently draws samples from the posterior distribution of deep neural network parameters. Under mild conditions, we prove that the posterior samples generated by the LKTD algorithm converge to a stationary distribution. This convergence not only enables us to quantify uncertainties associated with the value function and model parameters, but also allows us to monitor these uncertainties during policy updates throughout the training phase. The LKTD algorithm paves the way for more robust and adaptable reinforcement learning approaches.

Fast Value Tracking for Deep Reinforcement Learning

2403.13178

https://openreview.net/forum?id=LZIOBA2oDU

Poster

This study addresses the challenge of inaccurate gradients in computing the empirical Fisher Information Matrix during network pruning. We introduce SWAP, a formulation of Entropic Wasserstein regression (EWR) for network pruning, capitalizing on the geometric properties of the optimal transport problem. The “swap” of the commonly used linear regression with the EWR in optimization is analytically demonstrated to offer noise mitigation effects by incorporating neighborhood interpolation across data points with only marginal additional computational cost. The unique strength of SWAP is its intrinsic ability to balance noise reduction and covariance information preservation effectively. Extensive experiments performed on various networks and datasets show comparable performance of SWAP with state-of-the-art (SoTA) network pruning algorithms. Our proposed method outperforms the SoTA when the network size or the target sparsity is large, the gain is even larger with the existence of noisy gradients, possibly from noisy data, analog memory, or adversarial attacks. Notably, our proposed method achieves a gain of 6% improvement in accuracy and 8% improvement in testing loss for MobileNetV1 with less than one-fourth of the network parameters remaining.

SWAP: Sparse Entropic Wasserstein Regression for Robust Network Pruning

2310.04918

https://openreview.net/forum?id=LJWizuuBUy

Poster

More distinguishable and consistent pixel features for each category will benefit the semantic segmentation under various settings.Existing efforts to mine better pixel-level features attempt to explicitly model the categorical distribution, which fails to achieve optimal due to the significant pixel feature variance.Moreover, prior research endeavors have scarcely delved into the thorough analysis and meticulous handling of pixel-level variances, leaving semantic segmentation at a coarse granularity.In this work, We analyze the causes of pixel-level variance and raise the concept of $\textbf{pixel learning}$ to concentrate on the tailored learning process of pixels, handle pixel-level variance, and enhance the segmentation model's per-pixel recognition capability.Under the context of the pixel learning scheme, each image is viewed as a distribution of pixels, and pixel learning aims to pursue consistent pixel representation inside an image, continuously align pixels from different images (distributions), and eventually achieve consistent pixel representation for each category.We proposed a pure pixel-level learning framework, namely PiXL, which consists of a pixel partition module to divide pixels into sub-domains, a prototype generation, a selection module to prepare targets for subsequent alignment, and a pixel alignment module to guarantee pixel feature consistency intra- and inter-images.Extensive evaluations of multiple learning paradigms, including unsupervised domain adaptation and semi-/fully-supervised segmentation, show that PiXL outperforms state-of-the-art performances, especially when annotated images are scarce.Visualization of the embedding space further demonstrates that pixel learning attains a superior representation of pixel features.The code will be available upon acceptance.

Diving Segmentation Model into Pixels

https://openreview.net/forum?id=KBo7Z5aTV0

Poster

Recognition problems in long-tailed data, in which the sample size per class is heavily skewed, have gained importance because the distribution of the sample size per class in a dataset is generally exponential unless the sample size is intentionally adjusted. Various methods have been devised to address these problems.Recently, weight balancing, which combines well-known classical regularization techniques with two-stage training, has been proposed. Despite its simplicity, it is known for its high performance compared with existing methods devised in various ways.However, there is a lack of understanding as to why this method is effective for long-tailed data. In this study, we analyze weight balancing by focusing on neural collapse and the cone effect at each training stage and found that it can be decomposed into an increase in Fisher's discriminant ratio of the feature extractor caused by weight decay and cross entropy loss and implicit logit adjustment caused by weight decay and class-balanced loss. Our analysis enables the training method to be further simplified by reducing the number of training stages to one while increasing accuracy.

Exploring Weight Balancing on Long-Tailed Recognition Problem

2305.16573

https://openreview.net/forum?id=JsnR0YO4Fq

Poster

Endowing machines with abstract reasoning ability has been a long-term research topic in artificial intelligence. Raven's Progressive Matrix (RPM) is widely used to probe abstract visual reasoning in machine intelligence, where models need to understand the underlying rules and select the missing bottom-right images out of candidate sets to complete image matrices. The participators can display powerful reasoning ability by inferring the underlying attribute-changing rules and imagining the missing images at arbitrary positions. However, existing solvers can hardly manifest such an ability in realistic RPM problems. In this paper, we propose a conditional generative model to solve answer generation problems through Rule AbstractIon and SElection (RAISE) in the latent space. RAISE encodes image attributes as latent concepts and decomposes underlying rules into atomic rules by means of concepts, which are abstracted as global learnable parameters. When generating the answer, RAISE selects proper atomic rules out of the global knowledge set for each concept and composes them into the integrated rule of an RPM. In most configurations, RAISE outperforms the compared generative solvers in tasks of generating bottom-right and arbitrary-position answers. We test RAISE in the odd-one-out task and two held-out configurations to demonstrate how learning decoupled latent concepts and atomic rules helps find the image breaking the underlying rules and handle RPMs with unseen combinations of rules and attributes.

Towards Generative Abstract Reasoning: Completing Raven’s Progressive Matrix via Rule Abstraction and Selection

https://openreview.net/forum?id=IcR1OOFzxm

Poster

The advancements in automatic text-to-3D generation have been remarkable. Most existing methods use pre-trained text-to-image diffusion models to optimize 3D representations like Neural Radiance Fields (NeRFs) via latent-space denoising score matching. Yet, these methods often result in artifacts and inconsistencies across different views due to their suboptimal optimization approaches and limited understanding of 3D geometry. Moreover, the inherent constraints of NeRFs in rendering crisp geometry and stable textures usually lead to a two-stage optimization to attain high-resolution details. This work proposes holistic sampling and smoothing approaches to achieve high-quality text-to-3D generation, all in a single-stage optimization. We compute denoising scores in the text-to-image diffusion model's latent and image spaces. Instead of randomly sampling timesteps (also referred to as noise levels in denoising score matching), we introduce a novel timestep annealing approach that progressively reduces the sampled timestep throughout optimization. To generate high-quality renderings in a single-stage optimization, we propose regularization for the variance of z-coordinates along NeRF rays. To address texture flickering issues in NeRFs, we introduce a kernel smoothing technique that refines importance sampling weights coarse-to-fine, ensuring accurate and thorough sampling in high-density regions. Extensive experiments demonstrate the superiority of our method over previous approaches, enabling the generation of highly detailed and view-consistent 3D assets through a single-stage training process.

HIFA: High-fidelity Text-to-3D Generation with Advanced Diffusion Guidance

2305.18766

https://openreview.net/forum?id=IZMPWmcS3H

Poster

Deep neural networks have been widely used in many critical applications, such as autonomous vehicles and medical diagnosis. However, their security is threatened by backdoor attack, which is achieved by adding artificial patterns to specific training data. Existing defense strategies primarily focus on using reverse engineering to reproduce the backdoor trigger generated by attackers and subsequently repair the DNN model by adding the trigger into inputs and fine-tuning the model with ground-truth labels. However, once the trigger generated by the attackers is complex and invisible, the defender can not successfully reproduce the trigger. Consequently, the DNN model will not be repaired since the trigger is not effectively removed.In this work, we propose Adversarial Feature Map Pruning for Backdoor (FMP) to mitigate backdoor from the DNN. Different from existing defense strategies, which focus on reproducing backdoor triggers, FMP tries to prune the backdoor feature maps, which are trained to extract backdoor information from the inputs. After pruning these backdoor feature maps, FMP will fine-tune the model with a secure subset of training data. Our experiments demonstrate that, compared to existing defense strategies, FMP can effectively reduce the Attack Success Rate (ASR) even against the most complex and invisible attack triggers (e.g., FMP decreases the ASR to 2.86\% in CIFAR10, 19.2\%-65.41\% lower than previous arts). Second, unlike conventional defense methods that tend to exhibit low Robust Accuracy (i.e., the model's accuracy on the poisoned data), FMP achieves higher RA, indicating its superiority in maintaining model performance while mitigating the effects of backdoor attacks (e.g., FMP obtains 87.40\% RA in CIFAR10). Third, compared to existing feature map pruning techniques, FMP can cover more backdoor feature maps (e.g., FMP removes 83.33\% of backdoor feature maps from the model in the CIFAR10 \& BadNet scenario).

Adversarial Feature Map Pruning for Backdoor

2307.11565

https://openreview.net/forum?id=IOEEDkla96

Poster

Despite the rapid development of machine learning algorithms for domain generalization (DG), there is no clear empirical evidence that the existing DG algorithms outperform the classic empirical risk minimization (ERM) across standard benchmarks. To better understand this phenomenon, we investigate whether there are benefits of DG algorithms over ERM through the lens of label noise.Specifically, our finite-sample analysis reveals that label noise exacerbates the effect of spurious correlations for ERM, undermining generalization. Conversely, we illustrate that DG algorithms exhibit implicit label-noise robustness during finite-sample training even when spurious correlation is present.Such desirable property helps mitigate spurious correlations and improve generalization in synthetic experiments. However, additional comprehensive experiments on real-world benchmark datasets indicate that label-noise robustness does not necessarily translate to better performance compared to ERM. We conjecture that the failure mode of ERM arising from spurious correlations may be less pronounced in practice. Our code is available at https://github.com/qiaoruiyt/NoiseRobustDG

Understanding Domain Generalization: A Noise Robustness Perspective

2401.14846

https://openreview.net/forum?id=I2mIxuXA72

Poster

Spatial relationships between objects represent key scene information for humans to understand and interact with the world. To study the capability of current computer vision systems to recognize physically grounded spatial relations, we start by proposing precise relation definitions that permit consistently annotating a benchmark dataset. Despite the apparent simplicity of this task relative to others in the recognition literature, we observe that existing approaches perform poorly on this benchmark. We propose new approaches exploiting the long-range attention capabilities of transformers for this task, and evaluating key design principles. We identify a simple "RelatiViT" architecture and demonstrate that it outperforms all current approaches. To our knowledge, this is the first method to convincingly outperform naive baselines on spatial relation prediction in in-the-wild settings.

Can Transformers Capture Spatial Relations between Objects?

2403.00729

https://openreview.net/forum?id=HgZUcwFhjr

Poster

Offline Reinforcement learning (RL) is a compelling framework for learning optimal policies without additional environmental interaction. Nevertheless, offline RL inevitably faces the problem of distributional shifts, where the states and actions encountered during policy execution are not in the training dataset. A common solution involves incorporating conservatism into either the policy or value function, which serves as a safeguard against uncertainties and unknowns. In this paper, we also focus on achieving the same objectives of conservatism but from a different perspective. We propose COmpositional COnservatism with Anchor-seeking ($\text{\textit{COCOA}}$) for offline RL, an approach that pursues conservatism in a compositional manner on top of the transductive reparameterization (Netanyahuet al., 2023). In this reparameterization, the input variable (the state in our case) is viewed as the combination of an anchor and its difference from the original input. Independently of and agnostically to the prevalent $\text{\textit{behavioral}}$ conservatism in offline RL, COCOA learns to seek both in-distribution anchors and differences with the learned dynamics model, encouraging conservatism in the $\text{\textit{compositional input space}}$ for the function approximators of the Q-function and policy.Our experimental results show that our method generally improves the performance of four state-of-the-art offline RL algorithms on the D4RL benchmark.

Compositional Conservatism: A Transductive Approach in Offline Reinforcement Learning

2404.04682

https://openreview.net/forum?id=HRkyLbBRHI

Poster

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been computationally expensive and challenging to use in inverse problems, whereas Neural solvers aim to address both concerns through machine learning. We propose a general formulation for continuous convolutions using separable basis functions as a superset of existing methods and evaluate a large set of basis functions in the context of (a) a compressible 1D SPH simulation, (b) a weakly compressible 2D SPH simulation, and (c) an incompressible 2D SPH Simulation. We demonstrate that even and odd symmetries included in the basis functions are key aspects of stability and accuracy.Our broad evaluation shows that Fourier-based continuous convolutions outperform all other architectures regarding accuracy and generalization. Finally, using these Fourier-based networks, we show that prior inductive biases, such as window functions, are no longer necessary. An implementation of our approach, as well as complete datasets and solver implementations, is available at REDACTED FOR DOUBLE-BLIND REVIEW.

Symmetric Basis Convolutions for Learning Lagrangian Fluid Mechanics

2403.16680

https://openreview.net/forum?id=HKgRwNhI9R

Poster

Deep neural networks are increasingly utilized in various machine learning tasks. However, as these models grow in complexity, they often face calibration issues, despite enhanced prediction accuracy. Many studies have endeavored to improve calibration performance through the use of specific loss functions, data preprocessing and training frameworks. Yet, investigations into calibration properties have been somewhat overlooked. Our study leverages the Neural Architecture Search (NAS) search space, offering an exhaustive model architecture space for thorough calibration properties exploration. We specifically create a model calibration dataset. This dataset evaluates 90 bin-based and 12 additional calibration measurements across 117,702 unique neural networks within the widely employed NATS-Bench search space. Our analysis aims to answer several longstanding questions in the field, using our proposed dataset: (i) Can model calibration be generalized across different datasets? (ii) Can robustness be used as a calibration measurement? (iii) How reliable are calibration metrics? (iv) Does a post-hoc calibration method affect all models uniformly? (v) How does calibration interact with accuracy? (vi) What is the impact of bin size on calibration measurement? (vii) Which architectural designs are beneficial for calibration? Additionally, our study bridges an existing gap by exploring calibration within NAS. By providing this dataset, we enable further research into NAS calibration. As far as we are aware, our research represents the first large-scale investigation into calibration properties and the premier study of calibration issues within NAS.

A Benchmark Study on Calibration

2308.11838

https://openreview.net/forum?id=GzNhzX9kVa

Poster

Discrete-action reinforcement learning algorithms often falter in tasks with high-dimensional discrete action spaces due to the vast number of possible actions. A recent advancement leverages value-decomposition, a concept from multi-agent reinforcement learning, to tackle this challenge. This study delves deep into the effects of this value-decomposition, revealing that whilst it curtails the over-estimation bias inherent to Q-learning algorithms, it amplifies target variance. To counteract this, we present an ensemble of critics to mitigate target variance. Moreover, we introduce a regularisation loss that helps to mitigate the effects that exploratory actions in one dimension can have on the value of optimal actions in other dimensions. Our novel algorithm, REValueD, tested on discretised versions of the DeepMind Control Suite tasks, showcases superior performance, especially in the challenging humanoid and dog tasks. We further dissect the factors influencing REValueD's performance, evaluating the significance of the regularisation loss and the scalability of REValueD with increasing sub-actions per dimension.

REValueD: Regularised Ensemble Value-Decomposition for Factorisable Markov Decision Processes

2401.08850

https://openreview.net/forum?id=Gf15GsnfTy

Spotlight Poster

Understanding how overparameterized neural networks generalize despite perfect interpolation of noisy training data is a fundamental question. Mallinar et. al. (2022) noted that neural networks seem to often exhibit ``tempered overfitting'', wherein the population risk does not converge to the Bayes optimal error, but neither does it approach infinity, yielding non-trivial generalization. However, this has not been studied rigorously. We provide the first rigorous analysis of the overfiting behaviour of regression with minimum norm ($\ell_2$ of weights), focusing on univariate two-layer ReLU networks. We show overfitting is tempered (with high probability) when measured with respect to the $L_1$ loss, but also show that the situation is more complex than suggested by Mallinar et. al., and overfitting is catastrophic with respect to the $L_2$ loss, or when taking an expectation over the training set.

Noisy Interpolation Learning with Shallow Univariate ReLU Networks

2307.15396

https://openreview.net/forum?id=GTUoTJXPBf

Poster

In this work, we tackle the challenging problem of denoising hand-object interactions (HOI). Given an erroneous interaction sequence, the objective is to refine the incorrect hand trajectory to remove interaction artifacts for a perceptually realistic sequence. This challenge involves intricate interaction noise, including unnatural hand poses and incorrect hand-object relations, alongside the necessity for robust generalization to new interactions and diverse noise patterns. We tackle those challenges through a novel approach, **GeneOH Diffusion**, incorporating two key designs: an innovative contact-centric HOI representation named GeneOH and a new domain-generalizable denoising scheme. The contact-centric representation GeneOH informatively parameterizes the HOI process, facilitating enhanced generalization across various HOI scenarios. The new denoising scheme consists of a canonical denoising model trained to project noisy data samples from a whitened noise space to a clean data manifold and a "denoising via diffusion" strategy which can handle input trajectories with various noise patterns by first diffusing them to align with the whitened noise space and cleaning via the canonical denoiser. Extensive experiments on four benchmarks with significant domain variations demonstrate the superior effectiveness of our method. GeneOH Diffusion also shows promise for various downstream applications. An anonymous website for introducing the work is available at [Geneoh-Diffusion](https://geneoh-diffusion.github.io/Geneoh-Diffusion/).

GeneOH Diffusion: Towards Generalizable Hand-Object Interaction Denoising via Denoising Diffusion

2402.14810

https://openreview.net/forum?id=FvK2noilxT

Poster

Large language models (LLMs) have led to a surge in collaborative writing with model assistance. As different users incorporate suggestions from the same model, there is a risk of decreased diversity in the produced content, potentially limiting diverse perspectives in public discourse. In this work, we measure the impact of co-writing on diversity via a controlled experiment, where users write argumentative essays in three setups---using a base LLM (GPT3), a feedback-tuned LLM (InstructGPT), and writing without model help. We develop a set of diversity metrics and find that writing with InstructGPT (but not the GPT3) results in a statistically significant reduction in diversity. Specifically, it increases the similarity between the writings of different authors and reduces the overall lexical and content diversity. We additionally find that this effect is mainly attributable to InstructGPT contributing less diverse text to co-written essays. In contrast, the user-contributed text remains unaffected by model collaboration. This suggests that the recent improvement in generation quality from adapting models to human feedback might come at the cost of more homogeneous and less diverse content.

Does Writing with Language Models Reduce Content Diversity?

2309.05196

https://openreview.net/forum?id=Feiz5HtCD0

Poster

Diffusion models are powerful generative models that map noise to data using stochastic processes. However, for many applications such as image editing, the model input comes from a distribution that is not random noise. As such, diffusion models must rely on cumbersome methods like guidance or projected sampling to incorporate this information in the generative process. In our work, we propose Denoising Diffusion Bridge Models (DDBMs), a natural alternative to this paradigm based on *diffusion bridges*, a family of processes that interpolate between two paired distributions given as endpoints. Our method learns the score of the diffusion bridge from data and maps from one endpoint distribution to the other by solving a (stochastic) differential equation based on the learned score. Our method naturally unifies several classes of generative models, such as score-based diffusion models and OT-Flow-Matching, allowing us to adapt existing design and architectural choices to our more general problem. Empirically, we apply DDBMs to challenging image datasets in both pixel and latent space. On standard image translation problems, DDBMs achieve significant improvement over baseline methods, and, when we reduce the problem to image generation by setting the source distribution to random noise, DDBMs achieve comparable FID scores to state-of-the-art methods despite being built for a more general task.

Denoising Diffusion Bridge Models

2309.16948

https://openreview.net/forum?id=FKksTayvGo

Poster

Transformer-based large language models (LLMs) are constrained by the fixed context window of the underlying transformer architecture, hindering their ability to produce long and logically consistent code. Memory-augmented LLMs are a promising solution, but current approaches cannot handle long code generation tasks since they (1) only focus on reading memory and reduce its evolution to the concatenation of new memories or (2) use very specialized memories that cannot adapt to other domains. This paper presents L2MAC, the first practical LLM-based stored-program automatic computer for long and consistent code generation. Its memory has two components: the instruction registry, which is populated with a prompt program to solve the user-given task, and a file store, which will contain the final and intermediate outputs. Each instruction is executed by a separate LLM instance, whose context is managed by a control unit capable of precise memory reading and writing to ensure effective interaction with the file store. These components enable L2MAC to generate virtually unbounded code structures, bypassing the constraints of the finite context window while producing code that fulfills complex user-specified requirements. We empirically show that L2MAC succeeds in generating large code bases for system design tasks where other coding methods fall short in implementing user requirements and provide insight into the reasons for this performance gap.

L2MAC: Large Language Model Automatic Computer for Extensive Code Generation

2310.02003

https://openreview.net/forum?id=EhrzQwsV4K

Poster

In this research, we focus on the problem of learning monotonic neural networks, as preserving the monotonicity of a model with respect to a subset of inputs is crucial for practical applications across various domains. Although several methods have recently been proposed to address this problem, they have limitations such as not guaranteeing monotonicity in certain cases, requiring additional inference time, lacking scalability with increasing network size and number of monotonic inputs, and manipulating network weights during training. To overcome these limitations, we introduce a simple but novel architecture of the partially connected network which incorporates a 'scalable monotonic hidden layer' comprising three units: the exponentiated unit, ReLU unit, and confluence unit. This allows for the repetitive integration of the scalable monotonic hidden layers without other structural constraints. Consequently, our method offers ease of implementation and rapid training through the conventional error-backpropagation algorithm. We accordingly term this method as Scalable Monotonic Neural Networks (SMNN). Numerical experiments demonstrated that our method achieved comparable prediction accuracy to the state-of-the-art approaches while effectively addressing the aforementioned weaknesses.

Scalable Monotonic Neural Networks

https://openreview.net/forum?id=DjIsNDEOYX

Poster

State-of-the-art language models are becoming increasingly large in an effort to achieve the highest performance on large corpora of available textual data. However, the sheer size of the Transformer architectures makes it difficult to deploy models within computational, environmental or device-specific constraints. We explore data-driven compression of existing pretrained models as an alternative to training smaller models from scratch. To do so, we scale Kronecker-factored curvature approximations of the target loss landscape to large language models. In doing so, we can compute both the dynamic allocation of structures that can be removed as well as updates of remaining weights that account for the removal. We provide a general framework for unstructured, semi-structured and structured pruning and improve upon weight updates to capture more correlations between weights, while remaining computationally efficient. Experimentally, our method can prune rows and columns from a range of OPT models and Llamav2-7B by 20\%-30\%, with a negligible loss in performance, and achieve state-of-the-art results in unstructured and semi-structured pruning of large language models. We will open source our code on GitHub upon acceptance.

The LLM Surgeon

2312.17244

https://openreview.net/forum?id=DYIIRgwg2i

Poster

With the advancement of data science, the collection of increasingly complex datasets has become commonplace. In such datasets, the data dimension can be extremely high, and the underlying data generation process can be unknown and highly nonlinear. As a result, the task of making causal inference with high-dimensional complex data has become a fundamental problem in many disciplines, such as medicine, econometrics, and social science. However, the existing methods for causal inference are frequently developed under the assumption that the data dimension is low or that the underlying data generation process is linear or approximately linear. To address these challenges, this paper proposes a novel stochastic deep learning approach for conducting causal inference with high-dimensional complex data. The proposed approach is based on some deep learning techniques, including sparse deep learning theory and stochastic neural networks, that have been developed in recent literature. By using these techniques, the proposed approach can address both the high dimensionality and unknown data generation process in a coherent way. Furthermore, the proposed approach can also be used when missing values are present in the datasets. Extensive numerical studies indicate that the proposed approach outperforms existing ones.

Causal-StoNet: Causal Inference for High-Dimensional Complex Data

https://openreview.net/forum?id=BtZ7vCt5QY

Poster

Deep neural networks (DNNs) have revolutionized tasks such as image classification and speech recognition but often falter when training and test data diverge in distribution. External factors, from weather effects on images to varied speech environments, can cause this discrepancy, compromising DNN performance. Online test-time adaptation (OTTA) methods present a promising solution, recalibrating models in real-time during the test stage without requiring historical data. However, the OTTA paradigm is imperfect, often falling prey to issues such as catastrophic forgetting due to its reliance on noisy, self-trained predictions. Although some contemporary strategies mitigate this by tying adaptations to the static source model, this restricts model flexibility. This paper introduces a continual momentum filtering (CMF) framework, leveraging the Kalman filter (KF) to strike a balance between model adaptability and information retention. The CMF intertwines optimization via stochastic gradient descent with a KF-based inference process. This methodology not only aids in averting catastrophic forgetting but also provides high adaptability to shifting data distributions. We validate our framework on various OTTA scenarios and real-world situations regarding covariate and label shifts, and the CMF consistently shows superior performance compared to state-of-the-art methods.

Continual Momentum Filtering on Parameter Space for Online Test-time Adaptation

https://openreview.net/forum?id=BllUWdpIOA

Poster

Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can accelerate this process by learning a scoring function with a functional form that allows for more rapid optimization. Specifically, we define the scoring function to be the cross-correlation of multi-channel ligand and protein scalar fields parameterized by equivariant graph neural networks, enabling rapid optimization over rigid-body degrees of freedom with fast Fourier transforms. Moreover, the runtime of our approach can be amortized at several levels of abstraction, and is particularly favorable for virtual screening settings with a common binding pocket. We benchmark our scoring functions on two simplified docking-related tasks: decoy pose scoring and rigid conformer docking. Our method attains similar but faster performance on crystal structures compared to the Vina and Gnina scoring functions, and is more robust on computationally predicted structures.

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms

2312.04323

https://openreview.net/forum?id=BIveOmD1Nh

Poster

Continual Learning (CL) focuses on learning from dynamic and changing data distributions while retaining previously acquired knowledge. Various methods have been developed to address the challenge of catastrophic forgetting, including regularization-based, Bayesian-based, and memory-replay-based techniques. However, these methods lack a unified framework and common terminology for describing their approaches. This research aims to bridge this gap by introducing a comprehensive and overarching framework that encompasses and reconciles these existing methodologies. Notably, this new framework is capable of encompassing established CL approaches as special instances within a unified and general optimization objective.An intriguing finding is that despite their diverse origins, these methods share common mathematical structures. This observation highlights the compatibility of these seemingly distinct techniques, revealing their interconnectedness through a shared underlying optimization objective.Moreover, the proposed general framework introduces an innovative concept called refresh learning, specifically designed to enhance the CL performance. This novel approach draws inspiration from neuroscience, where the human brain often sheds outdated information to improve the retention of crucial knowledge and facilitate the acquisition of new information. In essence, refresh learning operates by initially unlearning current data and subsequently relearning it. It serves as a versatile plug-in that seamlessly integrates with existing CL methods, offering an adaptable and effective enhancement to the learning process. Extensive experiments on CL benchmarks and theoretical analysis demonstrate the effectiveness of the proposed refresh learning.

A Unified and General Framework for Continual Learning

2403.13249

https://openreview.net/forum?id=BE5aK0ETbp

Spotlight Poster

Developers often dedicate significant time to maintaining and refactoring existing code. However, most prior work on generative models for code focuses solely on creating new code, overlooking the distinctive needs of editing existing code. In this work, we explore a multi-round code auto-editing setting, aiming to predict edits to a code region based on recent changes within the same codebase. Our model, Coeditor, is a fine-tuned language model specifically designed for code editing tasks. We represent code changes using a line diff format and employ static analysis to form large customized model contexts, ensuring the availability of appropriate information for prediction. We collect a code editing dataset from the commit histories of 1650 open-source Python projects for training and evaluation. In a simplified single-round, single-edit task, Coeditor significantly outperforms GPT-3.5 and SOTA open-source code completion models (bringing exact-match accuracy from 34.7 up to 60.4), demonstrating the benefits of incorporating editing history for code completion. In a multi-round, multi-edit setting, we observe substantial gains by iteratively conditioning on additional user edits. We have open-sourced our code, data, and model weights to encourage future research and have released a VSCode extension powered by our model for interactive IDE usage.

Coeditor: Leveraging Repo-level Diffs for Code Auto-editing

https://openreview.net/forum?id=ALVwQjZRS8

Poster

Large scale inference models are widely used in neuroscience to extract latent representations from high-dimensional neural recordings. Due to the statistical heterogeneities between sessions and animals, a new model is trained from scratch to infer the underlying dynamics for each new dataset. This is computationally expensive and does not fully leverage all the available data. Moreover, as these models get more complex, they can be challenging to train. In parallel, it is becoming common to use pre-trained models in the machine learning community for few shot and transfer learning. One major hurdle that prevents the re-use of generative models in neuroscience is the complex spatio-temporal structure of neural dynamics within and across animals. Interestingly, the underlying dynamics identified from different datasets on the same task are qualitatively similar. In this work, we exploit this observation and propose a source-free and unsupervised alignment approach that utilizes the learnt dynamics and enables the re-use of trained generative models. We validate our approach on simulations and show the efficacy of the alignment on neural recordings from the motor cortex obtained during a reaching task.

Leveraging Generative Models for Unsupervised Alignment of Neural Time Series Data

https://openreview.net/forum?id=9zhHVyLY4K

Poster

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression atstart of training. In this paper, we comprehensively assess the trade-off betweenmemory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superiortechnique in terms of memory-efficient representation when compared to pruningfor linear models. This paper argues in favor of paradigm shift towards RPS basedmodels. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST’s sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST’s inability to recover the accuracy of the original model at zerocompression). We provably address both of these issues. We refer to the modifiedRPS, which incorporates our improvements, as STABLE-RPS

In defense of parameter sharing for model-compression

2310.11611

https://openreview.net/forum?id=ypAT2ixD4X

Poster

We present a neural network architecture designed to naturally learn a positional embedding and overcome the spectral bias towards lower frequencies faced by conventional implicit neural representation networks. Our proposed architecture, SPDER, is a simple MLP that uses an activation function composed of a sinusoidal multiplied by a sublinear function, called the damping function. The sinusoidal enables the network to automatically learn the positional embedding of an input coordinate while the damping passes on the actual coordinate value by preventing it from being projected down to within a finite range of values. Our results indicate that SPDERs speed up training by 10 times and converge to losses 1,500 to 50,000 times lower than that of the state-of-the-art for image representation. SPDER is also state-of-the-art in audio representation. The superior representation capability allows SPDER to also excel on multiple downstream tasks such as image super-resolution and video frame interpolation. We provide intuition as to why SPDER significantly improves fitting compared to that of other INR methods while requiring no hyperparameter tuning or preprocessing.

SPDER: Semiperiodic Damping-Enabled Object Representation

2306.15242

https://openreview.net/forum?id=92btneN9Wm

Poster

We tackle the challenge of large-scale network intervention for guiding excitatory point processes, such as infectious disease spread or traffic congestion control. Our model-based reinforcement learning utilizes neural ODEs to capture how the networked excitatory point processes will evolve subject to the time-varying changes in network topology. Our approach incorporates Gradient-Descent based Model Predictive Control (GD-MPC), offering policy flexibility to accommodate prior knowledge and constraints. To address the intricacies of planning and overcome the high dimensionality inherent to such decision-making problems, we design an Amortize Network Interventions (ANI) framework, allowing for the pooling of optimal policies from history and other contexts, while ensuring a permutation equivalent property. This property enables efficient knowledge transfer and sharing across diverse contexts. Our approach has broad applications, from curbing infectious disease spread to reducing carbon emissions through traffic light optimization, and thus has the potential to address critical societal and environmental challenges.

Amortized Network Intervention to Steer the Excitatory Point Processes

2310.04159

https://openreview.net/forum?id=8g26Yv1EOu

Poster

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the $i$-th neuron in a nonlinear operator layer is defined by $\mathcal O_i(u) = \sigma\left( \sum_j \mathcal W_{ij} u + \mathcal B_{ij}\right)$. Here, $\mathcal W_{ij}$ denotes the bounded linear operator connecting $j$-th input neuron to $i$-th output neuron, and the bias $\mathcal B_{ij}$ takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

MgNO: Efficient Parameterization of Linear Operators via Multigrid

2310.19809

https://openreview.net/forum?id=8OxL034uEr

Poster

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13\%.

Local Graph Clustering with Noisy Labels

2310.08031

https://openreview.net/forum?id=89A5c6enfc

Poster

Reinforcement learning (RL) has achieved phenomenal success in various domains. However, its data-driven nature also introduces new vulnerabilities that can be exploited by malicious opponents. Recent work shows that a well-trained RL agent can be easily manipulated by strategically perturbing its state observations at the test stage. Existing solutions either introduce a regularization term to improve the smoothness of the trained policy against perturbations or alternatively train the agent's policy and the attacker's policy. However, the former does not provide sufficient protection against strong attacks, while the latter is computationally prohibitive for large environments. In this work, we propose a new robust RL algorithm for deriving a pessimistic policy to safeguard against an agent's uncertainty about true states. This approach is further enhanced with belief state inference and diffusion-based state purification to reduce uncertainty. Empirical results show that our approach obtains superb performance under strong attacks and has a comparable training overhead with regularization-based methods.

Belief-Enriched Pessimistic Q-Learning against Adversarial State Perturbations

https://openreview.net/forum?id=7gDENzTzw1

Poster

In recent years, Artificial Intelligence has undergone a paradigm shift with the rise of foundation models, which are trained on large amounts of data, typically in a self-supervised way, and can then be adapted to a wide range of downstream tasks. In this work, we propose the first foundation model for Error Correction Codes. This model is trained on multiple codes and can then be applied to an unseen code. To enable this, we extend the Transformer architecture in multiple ways: (1) a code-invariant initial embedding, which is also position- and length-invariant, (2) a learned modulation of the attention maps that is conditioned on the Tanner graph, and (3) a length-invariant code-aware noise prediction module that is based on the parity-check matrix. The proposed architecture is trained on multiple short- and medium-length codes and is able to generalize to unseen codes. Its performance on these codes matches and even outperforms the state of the art, despite having a smaller capacity than the leading code-specific transformers. The suggested framework therefore demonstrates, for the first time, the benefits of learning a universal decoder rather than a neural decoder optimized for a given code.

A Foundation Model for Error Correction Codes

https://openreview.net/forum?id=7KDuQPrAF3

Poster

Significant strides have been made using large vision-language models, like Stable Diffusion (SD), for a variety of downstream tasks, including image generation, image editing, and 3D shape generation. Inspired by these advancements, we explore leveraging these vision-language models for segmenting images at any desired granularity using as few as one annotated sample. We propose SLiMe, which frames this problem as an optimization task. Specifically, given a single image and its segmentation mask, we first extract our novel “weighted accumulated self-attention map” along with cross-attention map from the SD prior. Then, using these extracted maps, the text embeddings of SD are optimized to highlight the segmented region in these attention maps, which in turn can be used to derive new segmentation results. Moreover, leveraging additional training data when available, i.e. few-shot, improves the performance of SLiMe. We performed comprehensive experiments examining various design factors and showed that SLiMe outperforms other existing one-shot and few-shot segmentation methods.

SLiMe: Segment Like Me

2309.03179

https://openreview.net/forum?id=7FeIRqCedv

Poster

Knowledge Distillation (KD) is a promising technique for reducing the high computational demand of large language models (LLMs). However, previous KD methods are primarily applied to white-box classification models or training small models to imitate black-box model APIs like ChatGPT. How to effectively distill the knowledge of white-box LLMs into small models is still under-explored, which becomes more important with the prosperity of open-source LLMs. In this work, we propose a KD approach that distills LLMs into smaller language models. We first replace the forward Kullback-Leibler divergence (KLD) objective in the standard KD approaches with reverse KLD, which is more suitable for KD on generative language models, to prevent the student model from overestimating the low-probability regions of the teacher distribution. Then, we derive an effective optimization approach to learn this objective. The student models are named MiniLLM. Extensive experiments in the instruction-following setting show that MiniLLM generates more precise responses with higher overall quality, lower exposure bias, better calibration, and higher long-text generation performance than the baselines. Our method is scalable for different model familieswith 120M to 13B parameters. Our code, data, and model checkpoints can be found in https://github.com/microsoft/LMOps/tree/main/minillm.

MiniLLM: Knowledge Distillation of Large Language Models

2306.08543

https://openreview.net/forum?id=5h0qf7IBZZ

Poster

Since the pioneering work on the lottery ticket hypothesis for graph neural networks (GNNs) was proposed in Chen et al. (2021), the study on finding graph lottery tickets (GLT) has become one of the pivotal focus in GNN community, inspiring researchers to discover sparser GLT while achieving comparable performance to original dense networks. In parallel, the graph structure has gained substantial attention as a crucial factor in GNN training dynamics, also elucidated by several recent studies. Despite this, contemporary studies on GLT, in general, have not fully exploited inherent pathways in the graph structure and identified tickets in an iterative manner, which is time-consuming and inefficient. To address these limitations, we introduce TEDDY, a one-shot edge sparsification framework that leverages structural information by incorporating edge-degree information. Followed by edge sparsification, we encourage the parameter sparsity during training via simple projected gradient descent on the $\ell_0$ ball. Given the target sparsity levels for both the graph structure and the model parameters, our TEDDY facilitates efficient and rapid realization of GLT within a single training. Remarkably, our experimental results demonstrate that TEDDY significantly surpasses conventional iterative approaches in generalization, even when conducting one-shot sparsification that solely utilizes graph structures, without taking node features into account.

TEDDY: Trimming Edges with Degree-based Discrimination Strategy

2402.01261

https://openreview.net/forum?id=5RUf9nEdyC

Poster

Unsupervised domain translation (UDT) is often realized by generative adversarial network (GAN)-based probability distribution matching of the source and target domains. CycleGAN stands as arguably the most representative approach among this line of work. However, it was noticed in recent works that CycleGAN and variants could fail to identify the desired translation function and produce content-misaligned translations. This limitation arises due to the presence of multiple translation functions---referred to as ``measure-preserving automorphism" (MPA)---in the solution space of the learning criteria. Despite the awareness of such identifiability issues, solutions have remained elusive. This study delves into the core identifiability challenge and introduces an MPA elimination theory. Our analysis shows that MPA is unlikely to exist, if multiple pairs of diverse cross-domain conditional distributions are aligned by the learning criterion. Our theory leads to a UDT learner using distribution matching over auxiliary variable-induced subsets of the domains---other than over the entire source/target domains as in the classical setting. The proposed framework is the first to rigorously establish identifiability of the desired translation function for UDT, to our best knowledge. Experiments corroborate with our theoretical claims.

Towards Identifiable Unsupervised Domain Translation: A Diversified Distribution Matching Approach

2401.09671

https://openreview.net/forum?id=55uj7mU7Cv

Poster

Denoising diffusion probabilistic models (DDPMs) are becoming the leading paradigm for generative models. It has recently shown breakthroughs in audio synthesis and time series imputation. However, little attention has been given to leveraging the powerful generative ability for general time series production. In this paper, we propose Diffusion-TS, the first DDPM-based framework that generates multivariate time series samples of high quality by using an encoder-decoder Transformer with disentangled temporal representations, in which the decomposition technique guides Diffusion-TS to capture the semantic meaning of time series while Transformers mine detailed sequential information from the noisy model input. For more interpretable and accurate pattern modeling, we train the model to directly reconstruct the sample instead of the noise in each diffusion step, combining a Fourier-based loss term. In addition, it is shown that the proposed Diffusion-TS can be easily extended to conditional generation tasks, such as forecasting and imputation, without any model changes. This also motivates us to further explore the performance of Diffusion-TS under irregular settings. Finally, through qualitative and quantitative experiments, results show that Diffusion-TS achieves the state-of-the-art results on various realistic analyses of time series. Our code and models are attached in the supplementary material and will be made publicly available.

Diffusion-TS: Interpretable Diffusion for General Time Series Generation

https://openreview.net/forum?id=4h1apFjO99

Poster

In the past five years, the use of generative and foundational AI systems has greatly improved the decoding of brain activity. Visual perception, in particular, can now be decoded from functional Magnetic Resonance Imaging (fMRI) with remarkable fidelity. This neuroimaging technique, however, suffers from a limited temporal resolution ($\approx$0.5\,Hz) and thus fundamentally constrains its real-time usage. Here, we propose an alternative approach based on magnetoencephalography (MEG), a neuroimaging device capable of measuring brain activity with high temporal resolution ($\approx$5,000 Hz). For this, we develop an MEG decoding model trained with both contrastive and regression objectives and consisting of three modules: i) pretrained embeddings obtained from the image, ii) an MEG module trained end-to-end and iii) a pretrained image generator. Our results are threefold: Firstly, our MEG decoder shows a 7X improvement of image-retrieval over classic linear decoders. Second, late brain responses to images are best decoded with DINOv2, a recent foundational image model. Third, image retrievals and generations both suggest that MEG signals primarily contain high-level visual features, whereas the same approach applied to 7T fMRI also recovers low-level features. Overall, these results provide an important step towards the decoding - in real time - of the visual processes continuously unfolding within the human brain.

Brain decoding: toward real-time reconstruction of visual perception

2310.19812

https://openreview.net/forum?id=3y1K6buO8c

Poster

Sharpness-Aware Minimization (SAM) is most known for achieving state-of the-art performances on natural image and language tasks. However, its most pronounced improvements (of tens of percent) is rather in the presence of label noise. Understanding SAM's label noise robustness requires a departure from characterizing the robustness of minimas lying in ``flatter'' regions of the loss landscape. In particular, the peak performance occurs with early stopping, far before the loss converges. We decompose SAM's robustness into two effects: one induced by changes to the logit term and the other induced by changes to the network Jacobian. The first can be observed in linear logistic regression where SAM provably upweights the gradient contribution from clean examples. Although this explicit upweighting is also observable in neural networks, when we intervene and modify SAM to remove this effect, surprisingly, we see no visible degradation in performance. We infer that SAM's effect in deeper networks is instead explained entirely by the effect SAM has on the network Jacobian. We theoretically derive the explicit regularization induced by this Jacobian effect in two layer linear networks. Motivated by our analysis, we see that cheaper alternatives to SAM that explicitly induce these regularization effects largely recover the benefits even in deep networks trained on real-world datasets.

Why is SAM Robust to Label Noise?

https://openreview.net/forum?id=3aZCPl3ZvR

Poster

Most continual learning (CL) algorithms have focused on tackling the stability- plasticity dilemma, that is, the challenge of preventing the forgetting of past tasks while learning new ones. However, we argue that they have overlooked the impact of knowledge transfer when the training dataset of a certain task is biased — namely, when the dataset contains some spurious correlations that can overly influence the prediction rule of a model. In that case, how would the dataset bias of a certain task affect prediction rules of a CL model for the future or past tasks? In this work, we carefully design systematic experiments using three benchmark datasets to answer the question from our empirical findings. Specifically, we first show through two-task CL experiments that standard CL methods, which are oblivious of the dataset bias, can transfer bias from one task to another, both forward and backward. Moreover, we find out this transfer is exacerbated depending on whether the CL methods focus on stability or plasticity. We then present that the bias is also transferred and even accumulates in longer task sequences. Finally, we offer a standardized experiment setup and a simple, yet strong plug-in baseline method, dubbed as Group-class Balanced Greedy Sampling (BGS). These resources can be utilized for the development of more advanced bias-aware CL methods.

Continual Learning in the Presence of Spurious Correlations: Analyses and a Simple Baseline

https://openreview.net/forum?id=3Y7r6xueJJ

Spotlight Poster

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

GIO: Gradient Information Optimization for Training Dataset Selection

2306.11670

https://openreview.net/forum?id=3NnfJnbJT2

Poster

The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have been proposed for the task, exhibiting much faster docking speed than those computational methods. In this paper, we propose a novel learning-based method called ElliDock, which predicts an elliptic paraboloid to represent the protein-protein docking interface. To be specific, our model estimates elliptic paraboloid interfaces for the two input proteins respectively, and obtains the roto-translation transformation for docking by making two interfaces coincide. By its design, ElliDock is independently equivariant with respect to arbitrary rotations/translations of the proteins, which is an indispensable property to ensure the generalization of the docking process. Experimental evaluations show that ElliDock achieves the fastest inference time among all compared methods, and outperforms state-of-the-art learning-based methods, like DiffDock-PP and Alphafold-Multimer, for particularly antibody-antigen docking.

Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction

2401.08986

https://openreview.net/forum?id=zgQ0PHeGnL

Poster

Taking inspiration from Set Theory, we introduce SetCSE, an innovative information retrieval framework. SetCSE employs sets to represent complex semantics and incorporates well-defined operations for structured information querying within the provided context. In alignment with this framework, we introduce an inter-set contrastive learning objective to enhance language model comprehension concerning the given semantics. Additionally, we present a suite of operations that leverage the enhanced sentence embeddings for querying, including SetCSE intersection, difference, and operation series. Throughout this paper, we demonstrate that SetCSE adheres to the conventions of natural language expression, provides a significant enhancement in the discriminatory capability of underlying language models, and enables numerous information retrieval tasks involving complex and intricate prompts that cannot be achieved using existing search methods.

SetCSE: Set Operations using Contrastive Learning of Sentence Embeddings

2404.17606

https://openreview.net/forum?id=zEHGSN8Hy8

Poster

We give the first efficient algorithm for learning halfspaces in the testable learning model recently defined by Rubinfeld and Vasilyan [2022]. In this model, a learner certifies that the accuracy of its output hypothesis is near optimal whenever the training set passes an associated test, and training sets drawn from some target distribution must pass the test. This model is more challenging than distribution-specific agnostic or Massart noise models where the learner is allowed to fail arbitrarily if the distributional assumption does not hold. We consider the setting where the target distribution is the standard Gaussian in $d$ dimensions and the label noise is either Massart or adversarial (agnostic). For Massart noise, our tester-learner runs in polynomial time and outputs a hypothesis with (information-theoretically optimal) error $\mathrm{opt}+\epsilon$ (and extends to any fixed strongly log-concave target distribution). For adversarial noise, our tester-learner obtains error $O(\mathrm{opt})+\epsilon$ in polynomial time. Prior work on testable learning ignores the labels in the training set and checks that the empirical moments of the covariates are close to the moments of the base distribution. Here we develop new tests of independent interest that make critical use of the labels and combine them with the moment-matching approach of Gollakota et al. [2022]. This enables us to implement a testable variant of the algorithm of Diakonikolas et al. [2020a, 2020b] for learning noisy halfspaces using nonconvex SGD.

An Efficient Tester-Learner for Halfspaces

2302.14853

https://openreview.net/forum?id=z6n1fKMMC1

Poster

Fairness plays a crucial role in various multi-agent systems (e.g., communication networks, financial markets, etc.). Many multi-agent dynamical interactions can be cast as Markov Decision Processes (MDPs). While existing research has focused on studying fairness in known environments, the exploration of fairness in such systems for unknown environments remains open. In this paper, we propose a Reinforcement Learning (RL) approach to achieve fairness in multi-agent finite-horizon episodic MDPs. Instead of maximizing the sum of individual agents' value functions, we introduce a fairness function that ensures equitable rewards across agents. Since the classical Bellman's equation does not hold when the sum of individual value functions is not maximized, we cannot use traditional approaches. Instead, in order to explore, we maintain a confidence bound of the unknown environment and then propose an online convex optimization based approach to obtain a policy constrained to this confidence region. We show that such an approach achieves sub-linear regret in terms of the number of episodes. Additionally, we provide a probably approximately correct (PAC) guarantee based on the obtained regret bound. We also propose an offline RL algorithm and bound the optimality gap with respect to the optimal fair solution. To mitigate computational complexity, we introduce a policy-gradient type method for the fair objective. Simulation experiments also demonstrate the efficacy of our approach.

Achieving Fairness in Multi-Agent MDP Using Reinforcement Learning

https://openreview.net/forum?id=yoVq2BGQdP

Poster

Existing multi-label classification methods have long suffered from label heterogeneity, where learning a label obscures another. By modeling multi-label classification as a multi-task problem, the problem can be regarded as a negative transfer that makes it difficult to simultaneously enhance performance across multiple tasks. In this work, we proposed the Hybrid Sharing Query (HSQ), a transformer-based model that introduces the mixture-of-experts architecture to image multi-label classification. Our approach is designed to leverage label correlations while mitigating heterogeneity effectively. To this end, our model is incorporated with a fusion expert framework that enables HSQ to optimally combine the strengths of task-specialized experts with shared experts, ultimately enhancing multi-label classification performance across most labels. We conducted extensive experiments on two benchmark datasets. The results demonstrate that the proposed method achieves state-of-the-art performance and yields simultaneous improvements across most labels. The code will be available upon acceptance.

Hybrid Sharing for Multi-Label Image Classification

https://openreview.net/forum?id=yVJd8lKyVX

Poster

In the past several years, the convergence of the last iterate of the Stochastic Gradient Descent (SGD) algorithm has triggered people's great interest due to its good performance in practice but lack of theoretical understanding. For Lipschtiz and convex functions, different works have established the optimal $O(\log(1/\delta)\log T/\sqrt{T})$ or $O(\sqrt{\log(1/\delta)/T})$ high-probability convergence rates for the final iterate, where $T$ is the time horizon and $\delta$ is the failure probability. However, to prove these bounds, all the existing works are limited to compact domains, and almost all of them also require almost surely bounded noises. It is natural to ask whether the last iterate of SGD can still guarantee the optimal convergence rate but without these two restrictive assumptions. Besides this important question, there are still lots of theoretical problems lacking an answer. For example, compared with the last iterate convergence of SGD for non-smooth problems, only very few results for smooth optimization have yet been developed. Additionally, the existing results are all limited to a single objective and the standard Euclidean norm. It still remains unclear whether the last-iterative convergence can be provably extended to wider composite optimization and non-Euclidean norms. In this work, to address the issues mentioned above, we revisit the last-iterative convergence of stochastic gradient methods and provide the first unified way to prove the convergence rates both in expectation and in high probability to accommodate general domains, composite objectives, non-Euclidean norms, Lipschitz conditions, smoothness and (strong) convexity simultaneously.

Revisiting the Last-Iterate Convergence of Stochastic Gradient Methods

2312.08531

https://openreview.net/forum?id=xxaEhwC1I4

Poster

Byzantine-robust distributed learning (BRDL), in which computing devices are likely to behave abnormally due to accidental failures or malicious attacks, has recently become a hot research topic. However, even in the independent and identically distributed (i.i.d.) case, existing BRDL methods will suffer a significant drop on model accuracy due to the large variance of stochastic gradients. Increasing batch sizes is a simple yet effective way to reduce the variance. However, when the total number of gradient computation is fixed, a too-large batch size will lead to a too-small iteration number (update number), which may also degrade the model accuracy. In view of this challenge, we mainly study the effect of batch size when the total number of gradient computation is fixed in this work. In particular, we show that when the total number of gradient computation is fixed, the optimal batch size corresponding to the tightest theoretical upper bound in BRDL increases with the fraction of Byzantine workers. Therefore, compared to the case without attacks, a larger batch size is preferred when under Byzantine attacks. Motivated by the theoretical finding, we propose a novel method called Byzantine-robust stochastic gradient descent with normalized momentum (ByzSGDnm) in order to further increase model accuracy in BRDL. We theoretically prove the convergence of ByzSGDnm for general non-convex cases under Byzantine attacks. Empirical results show that when under Byzantine attacks, compared to the cases of small batch sizes, setting a relatively large batch size can significantly increase the model accuracy, which is consistent with our theoretical results. Moreover, ByzSGDnm can achieve higher model accuracy than existing BRDL methods when under deliberately crafted attacks. In addition, we empirically show that increasing batch sizes has the bonus of training acceleration.

On the Effect of Batch Size in Byzantine-Robust Distributed Learning

https://openreview.net/forum?id=wriKDQqiOQ

Spotlight Poster

While prior federated learning (FL) methods mainly consider client heterogeneity, we focus on the *Federated Domain Generalization (DG)* task, which introduces train-test heterogeneity in the FL context.Existing evaluations in this field are limited in terms of the scale of the clients and dataset diversity.Thus, we propose a Federated DG benchmark that aim to test the limits of current methods with high client heterogeneity, large numbers of clients, and diverse datasets. Towards this objective, we introduce a novel data partitioning method that allows us to distribute any domain dataset among few or many clients while controlling client heterogeneity. We then introduce and apply our methodology to evaluate $13$ Federated DG methods, which include centralized DG methods adapted to the FL context, FL methods that handle client heterogeneity, and methods designed specifically for Federated DG on $7$ datasets.Our results suggest that, despite some progress, significant performance gaps remain in Federated DG, especially when evaluating with a large number of clients, high client heterogeneity, or more realistic datasets. Furthermore, our extendable benchmark code will be publicly released to aid in benchmarking future Federated DG approaches.

Benchmarking Algorithms for Federated Domain Generalization

2307.04942

https://openreview.net/forum?id=wprSv7ichW

Poster

Layer normalization, for which Batch Normalization (BN) is a popular choice, is an integral part of many deep learning architectures and contributes significantly to the learning success. We provide a partial explanation for this phenomenon by proving that training normalization layers alone is already sufficient for universal function approximation if the number of available, potentially random features matches or exceeds the weight parameters of the target networks that can be expressed. Our bound on the number of required features does not only improve on a recent result for fully-connected feed-forward architectures but also applies to CNNs with and without residual connections and almost arbitrary activation functions (which include ReLUs). Our explicit construction of a given target network solves a depth-width trade-off that is driven by architectural constraints and can explain why switching off entire neurons can have representational benefits, as has been observed empirically. To validate our theory, we explicitly match target networks that outperform experimentally obtained networks with trained BN parameters by utilizing a sufficient number of random features.

Batch normalization is sufficient for universal function approximation in CNNs

https://openreview.net/forum?id=wOSYMHfENq

Poster

We introduce the $\textbf{O}$ne-shot $\textbf{P}$runing $\textbf{T}$echnique for $\textbf{I}$nterchangeable $\textbf{N}$etworks ($\textbf{OPTIN}$) framework as a tool to increase the efficiency of pre-trained transformer architectures $\textit{without requiring re-training}$. Recent works have explored improving transformer efficiency, however often incur computationally expensive re-training procedures or depend on architecture-specific characteristics, thus impeding practical wide-scale adoption. To address these shortcomings, the OPTIN framework leverages intermediate feature distillation, capturing the long-range dependencies of model parameters (coined $\textit{trajectory}$), to produce state-of-the-art results on natural language, image classification, transfer learning, and semantic segmentation tasks $\textit{without re-training}$. Given a FLOP constraint, the OPTIN framework will compress the network while maintaining competitive accuracy performance and improved throughput. Particularly, we show a $\leq 2$% accuracy degradation from NLP baselines and a $0.5$% improvement from state-of-the-art methods on image classification at competitive FLOPs reductions. We further demonstrate the generalization of tasks and architecture with comparative performance using Mask2Former for semantic segmentation and cnn-style networks. OPTIN presents one of the first one-shot efficient frameworks for compressing transformer architectures that generalizes well across different class domains, in particular: natural language and image-related tasks, without $\textit{re-training}$.

The Need for Speed: Pruning Transformers with One Recipe

2403.17921

https://openreview.net/forum?id=MVmT6uQ3cQ

Poster

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared with long MD simulations.

Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling

2306.03117

https://openreview.net/forum?id=C4BikKsgmK

Poster

Large language models (LLMs) can “lie”, which we define as outputting false statements despite “knowing” the truth in a demonstrable sense. An example is an LLM instructed to spread misinformation. Here, we conduct an initial exploration into the feasibility of lie detection for LLMs. We develop a simple lie detector that requires neither access to the LLM’s activations (black-box) nor ground-truth knowledge of the fact in question. The detector works by asking a predefined set of unrelated follow-up questions after a suspected lie, and feeding the LLM’s yes/no answers into a logistic regression classifier. Despite its simplicity, this lie detector is highly accurate and surprisingly general. When trained on examples from a single setting—prompting GPT-3.5 to lie about factual questions—the detector generalises out-of-distribution to (1) other LLM architectures, (2) LLMs fine-tuned to lie, (3) sycophantic lies, and (4) lies emerging in real-life scenarios such as sales. These results indicate that LLMs have distinctive lie-related behavioural patterns, consistent across architectures and contexts, which could enable general-purpose lie detection

How to Catch an AI Liar: Lie Detection in Black-Box LLMs by Asking Unrelated Questions

2309.15840

https://openreview.net/forum?id=567BjxgaTp

Poster

Deep learning models have drastically accelerated materials discovery by accelerating predictive computational simulations like density functional theory (DFT). Large open computational materials databases such as the Materials Project or OQMD contain O($10^6$) known structures, and it is now straightforward to search those databases for materials with exciting properties. However, these databases are limited to experimentally known materials or candidates discovered in high-throughput computational campaigns. Many state-of-the-art engineering advances in solar photovaltaics, battery electrodes, and catalysts are made by discovering materials with outstanding properties that have not yet been discovered. Generative models are a natural solution to expand families of interest through sampling. While popular methods are typically constructed from variational autoencoders or diffusion models, we propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90\% of sampled structures obeying physical constraints on atom positions and charges. Using energy of hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49\% vs 28\%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.

Fine-Tuned Language Models Generate Stable Inorganic Materials as Text

2402.04379

https://openreview.net/forum?id=vN9fpfqoP1

Poster

With the rapid advancement of IT operations, managing and analyzing large data volumes efficiently for practical applications has become increasingly critical. Natural Language Processing (NLP) techniques have demonstrated remarkable capabilities in various tasks, including named entity recognition, machine translation, and dialogue systems. Recently, Large Language Models (LLMs) have achieved significant improvements across various domain-specific areas. However, there is a noticeable gap in the development of specialized Large Language Models (LLMs) tailored for IT operations. In this paper, we introduce the OWL, a large language model trained on our constructed Owl-Instruct with a wide range of IT-related information. Specifically, limited by the maximum input length, we propose the \textbf{H}omogeneous \textbf{M}arkov \textbf{C}ontext \textbf{E}xtension method (HMCE). The mixture-of-adapter strategy is leveraged to improve the parameter-efficient tuning across different domains or tasks.Further, we evaluate the performance of OWL on the Owl-Bench established by us and open IT-related benchmarks. OWL demonstrates superior performance results on IT tasks, which outperforms existing models by significant margins. Moreover, we hope that the findings of our work will provide more insights to revolutionize the techniques of IT operations with specialized LLMs.

OWL: A Large Language Model for IT Operations

2309.09298

https://openreview.net/forum?id=SZOQ9RKYJu

Spotlight Poster

The task of composed image retrieval (CIR) aims to retrieve images based on the query image and the text describing the users' intent. Existing methods have made great progress with the advanced large vision-language (VL) model in CIR task, however, they generally suffer from two main issues: lack of labeled triplets for model training and difficulty of deployment on resource-restricted environments when deploying the large vision-language model. To tackle the above problems, we propose Image2Sentence based Asymmetric zero-shot composed image retrieval (ISA), which takes advantage of the VL model and only relies on unlabeled images for composition learning. In the framework, we propose a new adaptive token learner that maps an image to a sentence in the word embedding space of VL model. The sentence adaptively captures discriminative visual information and is further integrated with the text modifier. An asymmetric structure is devised for flexible deployment, in which the lightweight model is adopted for the query side while the large VL model is deployed on the gallery side. The global contrastive distillation and the local alignment regularization are adopted for the alignment between the light model and the VL model for CIR task. Our experiments demonstrate that the proposed ISA could better cope with the real retrieval scenarios and further improve retrieval accuracy and efficiency.

Image2Sentence based Asymmetrical Zero-shot Composed Image Retrieval

2403.01431

https://openreview.net/forum?id=5BXAXOpaWu

Poster

Recent advances in natural language processing, primarily propelled by Large Language Models (LLMs), have showcased their remarkable capabilities grounded in in-context learning. A promising avenue for guiding LLMs in intricate reasoning tasks involves the utilization of intermediate reasoning steps within the Chain-of-Thought (CoT) paradigm. Nevertheless, the central challenge lies in the effective selection of exemplars for facilitating in-context learning. In this study, we introduce a framework that leverages Dual Queries and Low-rank approximation Re-ranking (DQ-LoRe) to automatically select exemplars for in-context learning. Dual Queries first query LLM to obtain LLM-generated knowledge such as CoT, then query the retriever to obtain the final exemplars via both question and the knowledge. Moreover, for the second query, LoRe employs dimensionality reduction techniques to refine exemplar selection, ensuring close alignment with the input question's knowledge. Through extensive experiments, we demonstrate that DQ-LoRe significantly outperforms prior state-of-the-art methods in the automatic selection of exemplars for GPT-4, enhancing performance from 92.5\% to 94.2\%. Our comprehensive analysis further reveals that DQ-LoRe consistently outperforms retrieval-based approaches in terms of both performance and adaptability, especially in scenarios characterized by distribution shifts. DQ-LoRe pushes the boundaries of in-context learning and opens up new avenues for addressing complex reasoning challenges.

DQ-LoRe: Dual Queries with Low Rank Approximation Re-ranking for In-Context Learning

https://openreview.net/forum?id=qAoxvePSlq

Spotlight Poster

This paper proposes the Phy-DRL: a physics-regulated deep reinforcement learning (DRL) framework for safety-critical autonomous systems. The designs of Phy-DRL are based on three invariant-embedding principles: i) residual action policy (i.e., integrating data-driven-DRL action policy and physics-model-based action policy), ii) safety-embedded reward, and iii) physics-model-guided neural network (NN) editing, including link editing and activation editing. Theoretically, the Phy-DRL exhibits 1) mathematically-provable safety guarantee, and 2) strict compliance of critic and actor networks with physics knowledge about the action-value function and action policy. Finally, we evaluate the Phy-DRL on a cart-pole system and a quadruped robot. The experiments validate our theoretical results and demonstrate that Phy-DRL features guaranteed safety compared to purely data-driven DRL and solely model-based design, while offering remarkably fewer learning parameters, and fast and stable training.

Physics-Regulated Deep Reinforcement Learning: Invariant Embeddings

https://openreview.net/forum?id=5Dwqu5urzs

Spotlight Poster

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy’s Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those roll- outs. We find that any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works with complex function approximators like neural networks, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice, since we show many environments can be solved by effectively estimating the random policy’s Q-function and then applying zero or a few steps of value iteration. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an “effective horizon” of lookahead—which is typically much smaller than the full horizon—and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance.

The Effective Horizon Explains Deep RL Performance in Stochastic Environments

2312.08369

https://openreview.net/forum?id=5ES5Hdlbxw

Poster

State-of-the-art visual localization approaches generally rely on a first image retrieval step whose role is crucial. Yet, retrieval often struggles when facing varying conditions, due to e.g. weather or time of day, with dramatic consequences on the visual localization accuracy. In this paper, we improve this retrieval step and tailor it to the final localization task. Among the several changes we advocate for, we propose to synthesize variants of the training set images, obtained from generative text-to-image models, in order to automatically expand the training set towards a number of nameable variations that particularly hurt visual localization. After expanding the training set, we propose a training approach that leverages the specificities and the underlying geometry of this mix of real and synthetic images. We experimentally show that those changes translate into large improvements for the most challenging visual localization datasets.

Weatherproofing Retrieval for Localization with Generative AI and Geometric Consistency

2402.09237

https://openreview.net/forum?id=5EniAcsO7f

Poster

While large language models (LLMs) often adopt finetuning to unlock their capabilities for downstream applications, our understanding on the inductive biases (especially the scaling properties) of different finetuning methods is still limited. To fill this gap, we conduct systematic experiments studying whether and how different scaling factors, including LLM model size, pretraining data size, new finetuning parameter size and finetuning data size, affect the finetuning performance. We consider two types of finetuning – full-model tuning (FMT) and parameter efficient tuning (PET, including prompt tuning and LoRA), and explore their scaling behaviors in the data-limited regime where the LLM model size substantially outweighs the finetuning data size. Based on two sets of pretrained bilingual LLMs from 1B to 16B and experiments on bilingual machine translation and multilingual summarization benchmarks, we find that 1) LLM finetuning follows a powerbased multiplicative joint scaling law between finetuning data size and each other scaling factor; 2) LLM finetuning benefits more from LLM model scaling than pretraining data scaling, and PET parameter scaling is generally ineffective; and 3) the optimal finetuning method is highly task- and finetuning data-dependent. We hope our findings could shed light on understanding, selecting and developing LLM finetuning methods.

When Scaling Meets LLM Finetuning: The Effect of Data, Model and Finetuning Method

2402.17193

https://openreview.net/forum?id=5HCnKDeTws

Poster

The usage of 3D vision algorithms, such as shape reconstruction, remains limited because they require inputs to be at a fixed canonical rotation. Recently, a simple equivariant network, Vector Neuron (VN) has been proposed that can be easily used with the state-of-the-art 3D neural network (NN) architectures. However, its performance is limited because it is designed to use only three-dimensional features, which is insufficient to capture the details present in 3D data. In this paper, we introduce an equivariant feature representation for mapping a 3D point to a high-dimensional feature space. Our feature can discern multiple frequencies present in 3D data, which, as shown by Tancik et al. (2020), is the key to designing an expressive feature for 3D vision tasks. Our representation can be used as an input to VNs, and the results demonstrate that with our feature representation, VN captures more details, overcoming the limitation raised in its original paper.

An Intuitive Multi-Frequency Feature Representation for SO(3)-Equivariant Networks

https://openreview.net/forum?id=5JWAOLBxwp