NeurIPS 2024 Papers

Exemplar-Free Class Incremental Learning (EFCIL) tackles the problem of training a model on a sequence of tasks without access to past data. Existing state-of-the-art methods represent classes as Gaussian distributions in the feature extractor's latent space, enabling Bayes classification or training the classifier by replaying pseudo features. However, we identify two critical issues that compromise their efficacy when the feature extractor is updated on incremental tasks. First, they do not consider that classes' covariance matrices change and must be adapted after each task. Second, they are susceptible to a task-recency bias caused by dimensionality collapse occurring during training. In this work, we propose AdaGauss - a novel method that adapts covariance matrices from task to task and mitigates the task-recency bias owing to the additional anti-collapse loss function. AdaGauss yields state-of-the-art results on popular EFCIL benchmarks and datasets when training from scratch or starting from a pre-trained backbone.

Given the high economic and environmental costs of using large vision or language models, analog in-memory accelerators present a promising solution for energy-efficient AI. While inference on analog accelerators has been studied recently, the training perspective is underexplored. Recent studies have shown that the "workhorse" of digital AI training - stochastic gradient descent (SGD) algorithm converges inexactly when applied to model training on non-ideal devices. This paper puts forth a theoretical foundation for gradient-based training on analog devices. We begin by characterizing the non-convergent issue of SGD, which is caused by the asymmetric updates on the analog devices. We then provide a lower bound of the asymptotic error to show that there is a fundamental performance limit of SGD-based analog training rather than an artifact of our analysis. To address this issue, we study a heuristic analog algorithm called Tiki-Taka that has recently exhibited superior empirical performance compared to SGD. We rigorously show its ability to converge to a critical point exactly and hence eliminate the asymptotic error. The simulations verify the correctness of the analyses.

Local Bayesian optimization is a promising practical approach to solve the high dimensional black-box function optimization problem. Among them is the approximated gradient class of methods, which implements a strategy similar to gradient descent. These methods have achieved good experimental results and theoretical guarantees. However, given the distributional properties of the Gaussian processes applied on these methods, there may be potential to further exploit the information of the Gaussian processes to facilitate the BO search. In this work, we develop the relationship between the steps of the gradient descent method and one that minimizes the Upper Confidence Bound (UCB), and show that the latter can be a better strategy than direct gradient descent when a Gaussian process is applied as a surrogate. Through this insight, we propose a new local Bayesian optimization algorithm, MinUCB, which replaces the gradient descent step with minimizing UCB in GIBO. We further show that MinUCB maintains a similar convergence rate with GIBO. We then improve the acquisition function of MinUCB further through a look ahead strategy, and obtain a more efficient algorithm LA-MinUCB. We apply our algorithms on different synthetic and real-world functions, and the results show the effectiveness of our method. Our algorithms also illustrate improvements on local search strategies from an upper bound perspective in Bayesian optimization, and provides a new direction for future algorithm design.

Large Language Models (LLMs) struggle with reliably generating highly structured outputs, such as program code, mathematical formulas, or well-formed markup. Constrained decoding approaches mitigate this problem by greedily restricting what tokens an LLM can output at each step to guarantee that the output matches a given constraint. Specifically, in grammar-constrained decoding (GCD), the LLM's output must follow a given grammar. In this paper we demonstrate that GCD techniques (and in general constrained decoding techniques) can distort the LLM's distribution, leading to outputs that are grammatical but appear with likelihoods that are not proportional to the ones given by the LLM, and so ultimately are low-quality. We call the problem of aligning sampling with a grammar constraint, grammar-aligned decoding (GAD), and propose adaptive sampling with approximate expected futures (ASAp), a decoding algorithm that guarantees the output to be grammatical while provably producing outputs that match the conditional probability of the LLM's distribution conditioned on the given grammar constraint. Our algorithm uses prior sample outputs to soundly overapproximate the future grammaticality of different output prefixes. Our evaluation on code generation and structured NLP tasks shows how ASAp often produces outputs with higher likelihood (according to the LLM's distribution) than existing GCD techniques, while still enforcing the desired grammatical constraints.

Large-scale generative language and vision-language models (LLMs and VLMs) excel in few-shot in-context learning for decision making and instruction following. However, they require high-quality exemplar demonstrations to be included in their context window. In this work, we ask: Can LLMs and VLMs generate their own examples from generic, sub-optimal demonstrations? We propose In-Context Abstraction Learning (ICAL), a method that builds a memory of multimodal experience from sub-optimal demonstrations and human feedback. Given a task demonstration that may contain inefficiencies or mistakes, a VLM abstracts the trajectory into a generalized program by correcting inefficient actions and annotating cognitive abstractions: causal relationships, object state changes, temporal subgoals, and task-relevant visual elements. These abstractions are iteratively improved and adapted through human feedback while the agent attempts to execute the trajectory in a similar environment. The resulting examples, when used as exemplars in the prompt, significantly improve decision-making in retrieval-augmented LLM and VLM agents. Moreover, as the agent's library of examples grows, it becomes more efficient, relying less on human feedback and requiring fewer environment interactions per demonstration. Our ICAL agent surpasses the state-of-the-art in dialogue-based instruction following in TEACh, multimodal web agents in VisualWebArena, and action anticipation in Ego4D. In TEACh, we achieve a 12.6% improvement in goal-condition success. In VisualWebArena, our task success rate improves over the SOTA from 14.3% to 22.7% using GPT4V. In Ego4D action forecasting, we improve over few-shot GPT-4V and remain competitive with supervised models. We show finetuning our retrieval-augmented in-context agent yields additional improvements. Our approach significantly reduces reliance on manual prompt engineering and consistently outperforms in-context learning from action plans that lack such abstractions.

As the deep integration of machine learning and intelligent education, Computerized Adaptive Testing (CAT) has received more and more research attention. Compared to traditional paper-and-pencil tests, CAT can deliver both personalized and interactive assessments by automatically adjusting testing questions according to the performance of students during the test process. Therefore, CAT has been recognized as an efficient testing methodology capable of accurately estimating a student’s ability with a minimal number of questions, leading to its widespread adoption in mainstream selective exams such as the GMAT and GRE. However, just improving the accuracy of ability estimation is far from satisfactory in the real-world scenarios, since an accurate ranking of students is usually more important (e.g., in high-stakes exams). Considering the shortage of existing CAT solutions in student ranking, this paper emphasizes the importance of aligning test outcomes (student ranks) with the true underlying abilities of students. Along this line, different from the conventional independent testing paradigm among students, we propose a novel collaborative framework, Collaborative Computerized Adaptive Testing (CCAT), that leverages inter-student information to enhance student ranking. By using collaborative students as anchors to assist in ranking test-takers, CCAT can give both theoretical guarantees and experimental validation for ensuring ranking consistency.

Federated Learning (FL), a privacy-aware approach in distributed deep learning environments, enables many clients to collaboratively train a model without sharing sensitive data, thereby reducing privacy risks. However, enabling human trust and control over FL systems requires understanding the evolving behaviour of clients, whether beneficial or detrimental for the training, which still represents a key challenge in the current literature. To address this challenge, we introduce Federated Behavioural Planes (FBPs), a novel method to analyse, visualise, and explain the dynamics of FL systems, showing how clients behave under two different lenses: predictive performance (error behavioural space) and decision-making processes (counterfactual behavioural space). Our experiments demonstrate that FBPs provide informative trajectories describing the evolving states of clients and their contributions to the global model, thereby enabling the identification of clusters of clients with similar behaviours. Leveraging the patterns identified by FBPs, we propose a robust aggregation technique named Federated Behavioural Shields to detect malicious or noisy client models, thereby enhancing security and surpassing the efficacy of existing state-of-the-art FL defense mechanisms. Our code is publicly available on GitHub.

Gaussian processes (GPs) are non-parametric probabilistic regression models that are popular due to their flexibility, data efficiency, and well-calibrated uncertainty estimates. However, standard GP models assume homoskedastic Gaussian noise, while many real-world applications are subject to non-Gaussian corruptions. Variants of GPs that are more robust to alternative noise models have been proposed, and entail significant trade-offs between accuracy and robustness, and between computational requirements and theoretical guarantees. In this work, we propose and study a GP model that achieves robustness against sparse outliers by inferring data-point-specific noise levels with a sequential selection procedure maximizing the log marginal likelihood that we refer to as relevance pursuit. We show, surprisingly, that the model can be parameterized such that the associated log marginal likelihood is strongly concave in the data-point-specific noise variances, a property rarely found in either robust regression objectives or GP marginal likelihoods. This in turn implies the weak submodularity of the corresponding subset selection problem, and thereby proves approximation guarantees for the proposed algorithm. We compare the model’s performance relative to other approaches on diverse regression and Bayesian optimization tasks, including the challenging but common setting of sparse corruptions of the labels within or close to the function range.

Conventional wisdom suggests that pre-training Vision Transformers (ViT) improves downstream performance by learning useful representations. Is this actually true? We investigate this question and find that the features and representations learned during pre-training are not essential. Surprisingly, using only the attention patterns from pre-training (i.e., guiding how information flows between tokens) is sufficient for models to learn high quality features from scratch and achieve comparable downstream performance. We show this by introducing a simple method called attention transfer, where only the attention patterns from a pre-trained teacher ViT are transferred to a student, either by copying or distilling the attention maps. Since attention transfer lets the student learn its own features, ensembling it with a fine-tuned teacher also further improves accuracy on ImageNet. We systematically study various aspects of our findings on the sufficiency of attention maps, including distribution shift settings where they underperform fine-tuning. We hope our exploration provides a better understanding of what pre-training accomplishes and leads to a useful alternative to the standard practice of fine-tuning.

Robots are often built from standardized assemblies, (e.g. arms, legs, or fingers), but each robot must be trained from scratch to control all the actuators of all the parts together. In this paper we demonstrate a new approach that takes a single robot and its controller as input and produces a set of modular controllers for each of these assemblies such that when a new robot is built from the same parts, its control can be quickly learned by reusing the modular controllers. We achieve this with a framework called MeMo which learns (Me)aningful, (Mo)dular controllers. Specifically, we propose a novel modularity objective to learn an appropriate division of labor among the modules. We demonstrate that this objective can be optimized simultaneously with standard behavior cloning loss via noise injection. We benchmark our framework in locomotion and grasping environments on simple to complex robot morphology transfer. We also show that the modules help in task transfer. On both structure and task transfer, MeMo achieves improved training efficiency to graph neural network and Transformer baselines.

Despite their success, unsupervised domain adaptation methods for semantic segmentation primarily focus on adaptation between image domains and do not utilize other abundant visual modalities like depth, infrared and event. This limitation hinders their performance and restricts their application in real-world multimodal scenarios. To address this issue, we propose Modality Adaptation with text-to-image Diffusion Models (MADM) for semantic segmentation task which utilizes text-to-image diffusion models pre-trained on extensive image-text pairs to enhance the model's cross-modality capabilities. Specifically, MADM comprises two key complementary components to tackle major challenges. First, due to the large modality gap, using one modal data to generate pseudo labels for another modality suffers from a significant drop in accuracy. To address this, MADM designs diffusion-based pseudo-label generation which adds latent noise to stabilize pseudo-labels and enhance label accuracy. Second, to overcome the limitations of latent low-resolution features in diffusion models, MADM introduces the label palette and latent regression which converts one-hot encoded labels into the RGB form by palette and regresses them in the latent space, thus ensuring the pre-trained decoder for up-sampling to obtain fine-grained features. Extensive experimental results demonstrate that MADM achieves state-of-the-art adaptation performance across various modality tasks, including images to depth, infrared, and event modalities. We open-source our code and models at https://github.com/XiaRho/MADM.

There are two issues in news-driven multi-stock movement prediction tasks that are not well solved in the existing works. On the one hand, "relation discovery" is a pivotal part when leveraging the price information of other stocks to achieve accurate stock movement prediction. Given that stock relations are often unidirectional, such as the "supplier-consumer" relationship, causal relations are more appropriate to capture the impact between stocks. On the other hand, there is substantial noise existing in the news data leading to extracting effective information with difficulty. With these two issues in mind, we propose a novel framework called CausalStock for news-driven multi-stock movement prediction, which discovers the temporal causal relations between stocks. We design a lag-dependent temporal causal discovery mechanism to model the temporal causal graph distribution. Then a Functional Causal Model is employed to encapsulate the discovered causal relations and predict the stock movements. Additionally, we propose a Denoised News Encoder by taking advantage of the excellent text evaluation ability of large language models (LLMs) to extract useful information from massive news data. The experiment results show that CausalStock outperforms the strong baselines for both news-driven multi-stock movement prediction and multi-stock movement prediction tasks on six real-world datasets collected from the US, China, Japan, and UK markets. Moreover, getting benefit from the causal relations, CausalStock could offer a clear prediction mechanism with good explainability.

Radar signal interpretation plays a crucial role in remote detection and ranging. With the gradual display of the advantages of neural network technology in signal processing, learning-based radar signal interpretation is becoming a research hot-spot and made great progress. And since radar semantic segmentation (RSS) can provide more fine-grained target information, it has become a more concerned direction in this field. However, the temporal information, which is an important clue for analyzing radar data, has not been exploited sufficiently in present RSS frameworks. In this work, we propose a novel temporal information learning paradigm, i.e., data-driven temporal information aggregation with learned target-history relations. Following this idea, a flexible learning module, called Temporal Relation-Aware Module (TRAM) is carefully designed. TRAM contains two main blocks: i) an encoder for capturing the target-history temporal relations (TH-TRE) and ii) a learnable temporal relation attentive pooling (TRAP) for aggregating temporal information. Based on TRAM, an end-to-end Temporal-Aware RSS Network (TARSS-Net) is presented, which has outstanding performance on publicly available and our collected real-measured datasets. Code and supplementary materials are available at https://github.com/zlw9161/TARSS-Net.

There is a growing interest in using Large Language Models (LLMs) in multi-agent systems to tackle interactive real-world tasks that require effective collaboration and assessing complex situations. Yet, we have a limited understanding of LLMs' communication and decision-making abilities in multi-agent setups. The fundamental task of negotiation spans many key features of communication, such as cooperation, competition, and manipulation potentials. Thus, we propose using scorable negotiation to evaluate LLMs. We create a testbed of complex multi-agent, multi-issue, and semantically rich negotiation games. To reach an agreement, agents must have strong arithmetic, inference, exploration, and planning capabilities while integrating them in a dynamic and multi-turn setup. We propose metrics to rigorously quantify agents' performance and alignment with the assigned role. We provide procedures to create new games and increase games' difficulty to have an evolving benchmark. Importantly, we evaluate critical safety aspects such as the interaction dynamics between agents influenced by greedy and adversarial players. Our benchmark is highly challenging; GPT-3.5 and small models mostly fail, and GPT-4 and SoTA large models (e.g., Llama-3 70b) still underperform in reaching agreement in non-cooperative and more difficult games.

Neural Episodic Control is a powerful reinforcement learning framework that employs a differentiable dictionary to store non-parametric memories. It was inspired by episodic memory on the functional level, but lacks a direct theoretical connection to the associative memory models generally used to implement such a memory. We first show that the dictionary is an instance of the recently proposed Universal Hopfield Network framework. We then introduce a continuous approximation of the dictionary readout operation in order to derive two energy functions that are Lyapunov functions of the dynamics. Finally, we empirically show that the dictionary outperforms the Max separation function, which had previously been argued to be optimal, and that performance can further be improved by replacing the Euclidean distance kernel by a Manhattan distance kernel. These results are enabled by the generalization capabilities of the dictionary, so a novel criterion is introduced to disentangle memorization from generalization when evaluating associative memory models.

Despite the success of Large Language Models (LLMs) on various tasks following human instructions, controlling model generation to follow strict constraints at inference time poses a persistent challenge. In this paper, we introduce Ctrl-G, a neuro-symbolic framework that enables tractable and adaptable control of LLM generation to follow logical constraints reliably. Ctrl-G combines any production-ready LLM with a Hidden Markov Model (HMM), guiding LLM outputs to adhere to logical constraints represented as deterministic finite automata. We show that Ctrl-G, when a TULU2-7B model is coupled with a 2B-parameter HMM, outperforms GPT4 in text editing: on the task of generating text insertions/continuations following logical constraints, our approach achieves over 30% higher satisfaction rate in human evaluation. When applied to medium-size language models (e.g., GPT2-large), Ctrl-G also beats its counterparts on standard benchmarks by large margins. Additionally, as a proof-of-concept study, we use Ctrl-G to assist LLM reasoning on the GSM benchmark, foreshadowing the application of Ctrl-G, as well as other constrained generation approaches, beyond traditional language generation tasks.

We study the problem of aligning large language models (LLMs) with human preference data. Contrastive preference optimization has shown promising results in aligning LLMs with available preference data by optimizing the implicit reward associated with the policy. However, the contrastive objective focuses mainly on the relative values of implicit rewards associated with two responses while ignoring their actual values, resulting in suboptimal alignment with human preferences. To address this limitation, we propose calibrated direct preference optimization (Cal-DPO), a simple yet effective algorithm. We show that substantial improvement in alignment with the given preferences can be achieved simply by calibrating the implicit reward to ensure that the learned implicit rewards are comparable in scale to the ground-truth rewards. We demonstrate the theoretical advantages of Cal-DPO over existing approaches. The results of our experiments on a variety of standard benchmarks show that Cal-DPO remarkably improves off-the-shelf methods.

Transformer-based large language models (LLMs) have displayed remarkable creative prowess and emergence capabilities. Existing empirical studies have revealed a strong connection between these LLMs' impressive emergence abilities and their in-context learning (ICL) capacity, allowing them to solve new tasks using only task-specific prompts without further fine-tuning. On the other hand, existing empirical and theoretical studies also show that there is a linear regularity of the multi-concept encoded semantic representation behind transformer-based LLMs. However, existing theoretical work fail to build up an understanding of the connection between this regularity and the innovative power of ICL. Additionally, prior work often focuses on simplified, unrealistic scenarios involving linear transformers or unrealistic loss functions, and they achieve only linear or sub-linear convergence rates. In contrast, this work provides a fine-grained mathematical analysis to show how transformers leverage the multi-concept semantics of words to enable powerful ICL and excellent out-of-distribution ICL abilities, offering insights into how transformers innovate solutions for certain unseen tasks encoded with multiple cross-concept semantics. Inspired by empirical studies on the linear latent geometry of LLMs, the analysis is based on a concept-based low-noise sparse coding prompt model. Leveraging advanced techniques, this work showcases the exponential 0-1 loss convergence over the highly non-convex training dynamics, which pioneeringly incorporates the challenges of softmax self-attention, ReLU-activated MLPs, and cross-entropy loss. Empirical simulations corroborate the theoretical findings.

Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragment-based molecule generation methods show limited exploration beyond the existing fragments in the database as they only reassemble or slightly modify the given ones. To tackle this problem, we propose a new fragment-based molecule generation framework with retrieval augmentation, namely *Fragment Retrieval-Augmented Generation* (*f*-RAG). *f*-RAG is based on a pre-trained molecular generative model that proposes additional fragments from input fragments to complete and generate a new molecule. Given a fragment vocabulary, *f*-RAG retrieves two types of fragments: (1) *hard fragments*, which serve as building blocks that will be explicitly included in the newly generated molecule, and (2) *soft fragments*, which serve as reference to guide the generation of new fragments through a trainable *fragment injection module*. To extrapolate beyond the existing fragments, *f*-RAG updates the fragment vocabulary with generated fragments via an iterative refinement process which is further enhanced with post-hoc genetic fragment modification. *f*-RAG can achieve an improved exploration-exploitation trade-off by maintaining a pool of fragments and expanding it with novel and high-quality fragments through a strong generative prior.