论文检索

Deep Learning · Large Language Models

Zijian Feng, Hanzhang Zhou, ZIXIAO ZHU, Junlang Qian, Kezhi Mao

Prompts play a crucial role in guiding the responses of Large Language Models (LLMs). However, the intricate role of individual tokens in prompts, known as input saliency, in shaping the responses remains largely underexplored. Existing saliency methods either misalign with LLM generation objectives or rely heavily on linearity assumptions, leading to potential inaccuracies. To address this, we propose Token Distribution Dynamics (TDD), an elegantly simple yet remarkably effective approach to unveil and manipulate the role of prompts in generating LLM outputs. TDD leverages the robust interpreting capabilities of the language model head (LM head) to assess input saliency. It projects input tokens into the embedding space and then estimates their significance based on distribution dynamics over the vocabulary. We introduce three TDD variants: forward, backward, and bidirectional, each offering unique insights into token relevance. Extensive experiments reveal that the TDD surpasses state-of-the-art baselines with a big margin in elucidating the causal relationships between prompts and LLM outputs. Beyond mere interpretation, we apply TDD to two prompt manipulation tasks for controlled text generation: zero-shot toxic language suppression and sentiment steering. Empirical results underscore TDD's proficiency in identifying both toxic and sentimental cues in prompts, subsequently mitigating toxicity or modulating sentiment in the generated content.

Deep Learning · Robustness

Yihao Xue, Eric Gan, Jiayi Ni, Siddharth Joshi, Baharan Mirzasoleiman

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical effectiveness, the reason behind the success of this technique is poorly understood. The pre-projection representations are not directly optimized by the loss function, raising the question: what makes them better? In this work, we provide a rigorous theoretical answer to this question. We start by examining linear models trained with self-supervised contrastive loss. We reveal that the implicit bias of training algorithms leads to layer-wise progressive feature weighting, where features become increasingly unequal as we go deeper into the layers. Consequently, lower layers tend to have more normalized and less specialized representations. We theoretically characterize scenarios where such representations are more beneficial, highlighting the intricate interplay between data augmentation and input features. Additionally, we demonstrate that introducing non-linearity into the network allows lower layers to learn features that are completely absent in higher layers. Finally, we show how this mechanism improves the robustness in supervised contrastive learning and supervised learning. We empirically validate our results through various experiments on CIFAR-10/100, UrbanCars and shifted versions of ImageNet. We also introduce a potential alternative to projection head, which offers a more interpretable and controllable design.

Deep Learning · Large Language Models

Yixuan Weng, Minjun Zhu, Fei Xia, Bin Li, Shizhu He, Kang Liu, Jun Zhao

Language models' (LMs) proficiency in handling deterministic symbolic reasoning and rule-based tasks remains limited due to their dependency implicit learning on textual data. To endow LMs with genuine rule comprehension abilities, we propose "Neural Comprehension" - a framework that synergistically integrates compiled neural networks (CoNNs) into the standard transformer architecture. CoNNs are neural modules designed to explicitly encode rules through artificially generated attention weights. By incorporating CoNN modules, the Neural Comprehension framework enables LMs to accurately and robustly execute rule-intensive symbolic tasks. Extensive experiments demonstrate the superiority of our approach over existing techniques in terms of length generalization, efficiency, and interpretability for symbolic operations. Furthermore, it can be applied to LMs across different model scales, outperforming tool-calling methods in arithmetic reasoning tasks while maintaining superior inference efficiency. Our work highlights the potential of seamlessly unifying explicit rule learning via CoNNs and implicit pattern learning in LMs, paving the way for true symbolic comprehension capabilities. The code is released at: \url{https://github.com/wengsyx/Neural-Comprehension}.

Deep Learning · Large Language Models

Seonghyeon Ye, Doyoung Kim, Sungdong Kim, Hyeonbin Hwang, Seungone Kim, Yongrae Jo, James Thorne, Juho Kim, Minjoon Seo

Evaluation of Large Language Models (LLMs) is challenging because instruction-following necessitates alignment with human values and the required set of skills varies depending on the instruction. However, previous studies have mainly focused on coarse-grained evaluation (i.e. overall preference-based evaluation), which limits interpretability since it does not consider the nature of user instructions that require instance-wise skill composition. In this paper, we introduce FLASK (Fine-grained Language Model Evaluation based on Alignment Skill Sets), a fine-grained evaluation protocol for both human-based and model-based evaluation which decomposes coarse-level scoring to a skill set-level scoring for each instruction. We experimentally observe that the fine-graininess of evaluation is crucial for attaining a holistic view of model performance and increasing the reliability of the evaluation. Using FLASK, we compare multiple open-source and proprietary LLMs and observe a high correlation between model-based and human-based evaluations.

Applications · Health

JUNHAO HU, Weijie Gan, Zhixin Sun, Hongyu An, Ulugbek Kamilov

Deformable image registration (DIR) is an active research topic in biomedical imaging. There is a growing interest in developing DIR methods based on deep learning (DL). A traditional DL approach to DIR is based on training a convolutional neural network (CNN) to estimate the registration field between two input images. While conceptually simple, this approach comes with a limitation that it exclusively relies on a pre-trained CNN without explicitly enforcing fidelity between the registered image and the reference. We present plug-and-play image registration network (PIRATE) as a new DIR method that addresses this issue by integrating an explicit data-fidelity penalty and a CNN prior. PIRATE pre-trains a CNN denoiser on the registration field and "plugs" it into an iterative method as a regularizer. We additionally present PIRATE+ that fine-tunes the CNN prior in PIRATE using deep equilibrium models (DEQ). PIRATE+ interprets the fixed-point iteration of PIRATE as a network with effectively infinite layers and then trains the resulting network end-to-end, enabling it to learn more task-specific information and boosting its performance. Our numerical results on OASIS and CANDI datasets show that our methods achieve state-of-the-art performance on DIR.

Deep Learning · Self-Supervised Learning

Yifei Wang, Qi Zhang, Yaoyu Guo, Yisen Wang

Deep representations have shown promising performance when transferred to downstream tasks in a black-box manner. Yet, their inherent lack of interpretability remains a significant challenge, as these features are often opaque to human understanding. In this paper, we propose Non-negative Contrastive Learning (NCL), a renaissance of Non-negative Matrix Factorization (NMF) aimed at deriving interpretable features. The power of NCL lies in its enforcement of non-negativity constraints on features, reminiscent of NMF's capability to extract features that align closely with sample clusters. NCL not only aligns mathematically well with an NMF objective but also preserves NMF's interpretability attributes, resulting in a more sparse and disentangled representation compared to standard contrastive learning (CL). Theoretically, we establish guarantees on the identifiability and downstream generalization of NCL. Empirically, we show that these advantages enable NCL to outperform CL significantly on feature disentanglement, feature selection, as well as downstream classification tasks. At last, we show that NCL can be easily extended to other learning scenarios and benefit supervised learning as well. Code is available at https://github.com/PKU-ML/non_neg.

Deep Learning · Theory

Thomas Laurent, James von Brecht, Xavier Bresson

We formalize and study a phenomenon called *feature collapse* that makes precise the intuitive idea that entities playing a similar role in a learning task receive similar representations. As feature collapse requires a notion of task, we leverage a synthetic task in which a learner must classify `sentences' constituted of $L$ tokens. We start by showing experimentally that feature collapse goes hand in hand with generalization. We then prove that, in the large sample limit, distinct tokens that play identical roles in the task receive identical local feature representations in the first layer of the network. This analysis shows that a neural network trained on this task provably learns interpretable and meaningful representations in its first layer.

Social Aspects · Accountability, Transparency and Interpretability

Robert Huben, Hoagy Cunningham, Logan Smith, Aidan Ewart, Lee Sharkey

One of the roadblocks to a better understanding of neural networks' internals is \textit{polysemanticity}, where neurons appear to activate in multiple, semantically distinct contexts. Polysemanticity prevents us from identifying concise, human-understandable explanations for what neural networks are doing internally. One hypothesised cause of polysemanticity is \textit{superposition}, where neural networks represent more features than they have neurons by assigning features to an overcomplete set of directions in activation space, rather than to individual neurons. Here, we attempt to identify those directions, using sparse autoencoders to reconstruct the internal activations of a language model. These autoencoders learn sets of sparsely activating features that are more interpretable and monosemantic than directions identified by alternative approaches, where interpretability is measured by automated methods. Moreover, we show that with our learned set of features, we can pinpoint the features that are causally responsible for counterfactual behaviour on the indirect object identification task \citep{wang2022interpretability} to a finer degree than previous decompositions. This work indicates that it is possible to resolve superposition in language models using a scalable, unsupervised method. Our method may serve as a foundation for future mechanistic interpretability work, which we hope will enable greater model transparency and steerability.

Social Aspects · Accountability, Transparency and Interpretability

Zhiyu Zhu, Huaming Chen, Jiayu Zhang, Xinyi Wang, Zhibo Jin, Jason Xue, Flora Salim

Due to the real-world noise and human-added perturbations, attaining the trustworthiness of deep neural networks (DNNs) is a challenging task. Therefore, it becomes essential to offer explanations for the decisions made by these non-linear and complex parameterized models. Attribution methods are promising for this goal, yet its performance can be further improved. In this paper, for the first time, we present that the decision boundary exploration approaches of attribution are consistent with the process for transferable adversarial attacks. Specifically, the transferable adversarial attacks craft general adversarial samples from the source model, which is consistent with the generation of adversarial samples that can cross multiple decision boundaries in attribution. Utilizing this consistency, we introduce a novel attribution method via model parameter exploration. Furthermore, inspired by the capability of frequency exploration to investigate the model parameters, we provide enhanced explainability for DNNs by manipulating the input features based on frequency information to explore the decision boundaries of different models. Large-scale experiments demonstrate that our \textbf{A}ttribution method for \textbf{E}xplanation with model parameter e\textbf{X}ploration (AttEXplore) outperforms other state-of-the-art interpretability methods. Moreover, by employing other transferable attack techniques, AttEXplore can explore potential variations in attribution outcomes. Our code is available at: https://github.com/LMBTough/ATTEXPLORE.

Deep Learning · Generative Models and Autoencoders

Oren Katzir, Or Patashnik, Daniel Cohen-Or, Dani Lischinski

Score Distillation Sampling (SDS) has emerged as the de facto approach for text-to-content generation in non-image domains. In this paper, we reexamine the SDS process and introduce a straightforward interpretation that demystifies the necessity for large Classifier-Free Guidance (CFG) scales, rooted in the distillation of an undesired noise term. Building upon our interpretation, we propose a novel Noise-Free Score Distillation (NFSD) process, which requires minimal modifications to the original SDS framework. Through this streamlined design, we achieve more effective distillation of pre-trained text-to-image diffusion models while using a nominal CFG scale. This strategic choice allows us to prevent the over-smoothing of results, ensuring that the generated data is both realistic and complies with the desired prompt. To demonstrate the efficacy of NFSD, we provide qualitative examples that compare NFSD and SDS, as well as several other methods.

Social Aspects · Accountability, Transparency and Interpretability

Samyak Jain, Robert Kirk, Ekdeep Singh Lubana, Robert Dick, Hidenori Tanaka, Tim Rocktaeschel, Edward Grefenstette, David Krueger

Fine-tuning large pre-trained models has become the de facto strategy for developing both task-specific and general-purpose machine learning systems, including developing models that are safe to deploy. Despite its clear importance, there has been minimal work that explains how fine-tuning alters the underlying capabilities learned by a model during pretraining: does fine-tuning yield entirely novel capabilities or does it just modulate existing ones? We address this question empirically in synthetic, controlled settings where we can use mechanistic interpretability tools (e.g., network pruning and probing) to understand how the model's underlying capabilities are changing. We perform an extensive analysis of the effects of fine-tuning in these settings, and show that: (i) fine-tuning rarely alters the underlying model capabilities; (ii) a minimal transformation, which we call a `wrapper', is typically learned on top of the underlying model capabilities, creating the illusion that they have been modified; and (iii) further fine-tuning on a task where such ``wrapped capabilities'' are relevant leads to sample-efficient revival of the capability, i.e., the model begins reusing these capabilities after only a few gradient steps. This indicates that practitioners can unintentionally remove a model's safety wrapper merely by fine-tuning it on a, e.g., superficially unrelated, downstream task. We additionally perform analysis on language models trained on the TinyStories dataset to support our claims in a more realistic setup.

Applications · Computer Vision

Zahra Babaiee, Peyman Kiasari, Daniela Rus, Radu Grosu

Recent advances in depthwise-separable convolutional neural networks (DS-CNNs) have led to novel architectures, that surpass the performance of classical CNNs, by a considerable scalability and accuracy margin. This paper reveals another striking property of DS-CNN architectures: discernible and explainable patterns emerge in their trained depthwise convolutional kernels in all layers. Through an extensive analysis of millions of trained filters, with different sizes and from various models, we employed unsupervised clustering with autoencoders, to categorize these filters. Astonishingly, the patterns converged into a few main clusters, each resembling the difference of Gaussian (DoG) functions, and their first and second-order derivatives. Notably, we classify over 95\% and 90\% of the filters from state-of-the-art ConvNeXtV2 and ConvNeXt models, respectively. This finding is not merely a technological curiosity; it echoes the foundational models neuroscientists have long proposed for the vision systems of mammals. Our results thus deepen our understanding of the emergent properties of trained DS-CNNs and provide a bridge between artificial and biological visual processing systems. More broadly, they pave the way for more interpretable and biologically-inspired neural network designs in the future.

Deep Learning · Algorithms

Lukas Muttenthaler, Robert A Vandermeulen, Qiuyi (Richard) Zhang, Thomas Unterthiner, Klaus R Muller

Model overconfidence and poor calibration are common in machine learning and difficult to account for when applying standard empirical risk minimization. In this work, we propose a novel method to alleviate these problems that we call odd-$k$-out learning (OKO), which minimizes the cross-entropy error for sets rather than for single examples. This naturally allows the model to capture correlations across data examples and achieves both better accuracy and calibration, especially in limited training data and class-imbalanced regimes. Perhaps surprisingly, OKO often yields better calibration even when training with hard labels and dropping any additional calibration parameter tuning, such as temperature scaling. We demonstrate this in extensive experimental analyses and provide a mathematical theory to interpret our findings. We emphasize that OKO is a general framework that can be easily adapted to many settings and a trained model can be applied to single examples at inference time, without significant run-time overhead or architecture changes.

Pierre Gleize, Weiyao Wang, Matt Feiszli

Keypoint detection & descriptors are foundational technologies for computer vision tasks like image matching, 3D reconstruction and visual odometry. Hand-engineered methods like Harris corners, SIFT, and HOG descriptors have been used for decades; more recently, there has been a trend to introduce learning in an attempt to improve keypoint detectors. On inspection however, the results are difficult to interpret; recent learning-based methods employ a vast diversity of experimental setups and design choices: empirical results are often reported using different backbones, protocols, datasets, types of supervisions or tasks. Since these differences are often coupled together, it raises a natural question on what makes a good learned keypoint detector. In this work, we revisit the design of existing keypoint detectors by deconstructing their methodologies and identifying the key components. We re-design each component from first-principle and propose Simple Learned Keypoints (SiLK) that is fully-differentiable, lightweight, and flexible. Despite its simplicity, SiLK advances new state-of-the-art on Detection Repeatability and Homography Estimation tasks on HPatches and 3D Point-Cloud Registration task on ScanNet, and achieves competitive performance to state-of-the-art on camera pose estimation in 2022 Image Matching Challenge and ScanNet.

Liang Zhang, Nathaniel Xu, Pengfei Yang, Gaojie Jin, Cheng-Chao Huang, Lijun Zhang

Robust pedestrian trajectory forecasting is crucial to developing safe autonomous vehicles. Although previous works have studied adversarial robustness in the context of trajectory forecasting, some significant issues remain unaddressed. In this work, we try to tackle these crucial problems. Firstly, the previous definitions of robustness in trajectory prediction are ambiguous. We thus provide formal definitions for two kinds of robustness, namely label robustness and pure robustness. Secondly, as previous works fail to consider robustness about all points in a disturbance interval, we utilise a probably approximately correct (PAC) framework for robustness verification. Additionally, this framework can not only identify potential counterexamples, but also provides interpretable analyses of the original methods. Our approach is applied using a prototype tool named TrajPAC. With TrajPAC, we evaluate the robustness of four state-of-the-art trajectory prediction models -- Trajectron++, MemoNet, AgentFormer, and MID -- on trajectories from five scenes of the ETH/UCY dataset and scenes of the Stanford Drone Dataset. Using our framework, we also experimentally study various factors that could influence robustness performance.

Wei Huang, Xingyu Zhao, Gaojie Jin, Xiaowei Huang

Interpretability of Deep Learning (DL) is a barrier to trustworthy AI. Despite great efforts made by the Explainable AI (XAI) community, explanations lack robustness--indistinguishable input perturbations may lead to different XAI results. Thus, it is vital to assess how robust DL interpretability is, given an XAI method. In this paper, we identify several challenges that the state-of-the-art is unable to cope with collectively: i) existing metrics are not comprehensive ii) XAI techniques are highly heterogeneous; iii) misinterpretations are normally rare events. To tackle these challenges, we introduce two black-box evaluation methods, concerning the worst-case interpretation discrepancy and a probabilistic notion of how robust in general, respectively. Genetic Algorithm (GA) with bespoke fitness function is used to solve constrained optimisation for efficient worst-case evaluation. Subset Simulation (SS), dedicated to estimating rare event probabilities, is used for evaluating overall robustness. Experiments show that the accuracy, sensitivity, and efficiency of our methods outperform the state-of-the-arts. Finally, we demonstrate two applications of our methods: ranking robust XAI methods and selecting training schemes to improve both classification and interpretation robustness.

Bo Dai, Linge Wang, Baoxiong Jia, Zeyu Zhang, Song-Chun Zhu, Chi Zhang, Yixin Zhu

Intuitive physics is pivotal for human understanding of the physical world, enabling prediction and interpretation of events even in infancy. Nonetheless, replicating this level of intuitive physics in artificial intelligence (AI) remains a formidable challenge. This study introduces X-VoE, a comprehensive benchmark dataset, to assess AI agents' grasp of intuitive physics. Built on the developmental psychology-rooted Violation of Expectation (VoE) paradigm, X-VoE establishes a higher bar for the explanatory capacities of intuitive physics models. Each VoE scenario within X-VoE encompasses three distinct settings, probing models' comprehension of events and their underlying explanations. Beyond model evaluation, we present an explanation-based learning system that captures physics dynamics and infers occluded object states solely from visual sequences, without explicit occlusion labels. Experimental outcomes highlight our model's alignment with human commonsense when tested against X-VoE. A remarkable feature is our model's ability to visually expound VoE events by reconstructing concealed scenes. Concluding, we discuss the findings' implications and outline future research directions. Through X-VoE, we catalyze the advancement of AI endowed with human-like intuitive physics capabilities.

Matthew Trager, Pramuditha Perera, Luca Zancato, Alessandro Achille, Parminder Bhatia, Stefano Soatto

We investigate compositional structures in data embeddings from pre-trained vision-language models (VLMs). Traditionally, compositionality has been associated with algebraic operations on embeddings of words from a pre-existing vocabulary. In contrast, we seek to approximate representations from an encoder as combinations of a smaller set of vectors in the embedding space. These vectors can be seen as "ideal words" for generating concepts directly within embedding space of the model. We first present a framework for understanding compositional structures from a geometric perspective. We then explain what these compositional structures entail probabilistically in the case of VLM embeddings, providing intuitions for why they arise in practice. Finally, we empirically explore these structures in CLIP's embeddings and we evaluate their usefulness for solving different vision-language tasks such as classification, debiasing, and retrieval. Our results show that simple linear algebraic operations on embedding vectors can be used as compositional and interpretable methods for regulating the behavior of VLMs.

Robert van der Klis, Stephan Alaniz, Massimiliano Mancini, Cassio F. Dantas, Dino Ienco, Zeynep Akata, Diego Marcos

Fine-grained classification often requires recognizing specific object parts, such as beak shape and wing patterns for birds. Encouraging a fine-grained classification model to first detect such parts and then using them to infer the class could help us gauge whether the model is indeed looking at the right details better than with interpretability methods that provide a single attribution map. We propose PDiscoNet to discover object parts by using only image-level class labels along with priors encouraging the parts to be: discriminative, compact, distinct from each other, equivariant to rigid transforms, and active in at least some of the images. In addition to using the appropriate losses to encode these priors, we propose to use part-dropout, where full part feature vectors are dropped at once to prevent a single part from dominating in the classification, and part feature vector modulation, which makes the information coming from each part distinct from the perspective of the classifier. Our results on CUB, CelebA, and PartImageNet show that the proposed method provides substantially better part discovery performance than previous methods while not requiring any additional hyper-parameter tuning and without penalizing the classification performance.

Dídac Surís, Sachit Menon, Carl Vondrick

Answering visual queries is a complex task that requires both visual processing and reasoning. End-to-end models, the dominant approach for this task, do not explicitly differentiate between the two, limiting interpretability and generalization. Learning modular programs presents a promising alternative, but has proven challenging due to the difficulty of learning both the programs and modules simultaneously. We introduce ViperGPT, a framework that leverages code-generation models to compose vision-and-language models into subroutines to produce a result for any query. ViperGPT utilizes a provided API to access the available modules, and composes them by generating Python code that is later executed. This simple approach requires no further training, and achieves state-of-the-art results across various complex visual tasks.