Calibrating LLMs with Information-Theoretic Evidential Deep Learning

Fine-tuned large language models (LLMs) often exhibit overconfidence, particularly when trained on small datasets, resulting in poor calibration and inaccurate uncertainty estimates. Evidential Deep Learning (EDL), an uncertainty-aware approach, enables uncertainty estimation in a single forward pass, making it a promising method for calibrating fine-tuned LLMs. However, despite its computational efficiency, EDL is prone to overfitting, as its training objective can result in overly concentrated probability distributions. To mitigate this, we propose regularizing EDL by incorporating an information bottleneck (IB). Our approach IB-EDL suppresses spurious information in the evidence generated by the model and encourages truly predictive information to influence both the predictions and uncertainty estimates. Extensive experiments across various fine-tuned LLMs and tasks demonstrate that IB-EDL outperforms both existing EDL and non-EDL approaches. By improving the trustworthiness of LLMs, IB-EDL facilitates their broader adoption in domains requiring high levels of confidence calibration. Code is available at https://github.com/sandylaker/ib-edl.

FinerCut: Finer-grained Interpretable Layer Pruning for Large Language Models

Overparametrized transformer networks are the state-of-the-art architecture for Large Language Models (LLMs). However, such models contain billions of parameters making large compute a necessity, while raising environmental concerns. To address these issues, we propose FinerCut, a new form of fine-grained layer pruning, which in contrast to prior work at the transformer block level, considers all self-attention and feed-forward network (FFN) layers within blocks as individual pruning candidates. FinerCut prunes layers whose removal causes minimal alternation to the model's output -- contributing to a new, lean, interpretable, and task-agnostic pruning method. Tested across 9 benchmarks, our approach retains 90% performance of Llama3-8B with 25% layers removed, and 95% performance of Llama3-70B with 30% layers removed, all without fine-tuning or post-pruning reconstruction. Strikingly, we observe intriguing results with FinerCut: 42% (34 out of 80) of the self-attention layers in Llama3-70B can be removed while preserving 99% of its performance -- without additional fine-tuning after removal. Moreover, FinerCut provides a tool to inspect the types and locations of pruned layers, allowing to observe interesting pruning behaviors. For instance, we observe a preference for pruning self-attention layers, often at deeper consecutive decoder layers. We hope our insights inspire future efficient LLM architecture designs.

Stochastic Vision Transformers with Wasserstein Distance-Aware Attention

Self-supervised learning is one of the most promising approaches to acquiring knowledge from limited labeled data. Despite the substantial advancements made in recent years, self-supervised models have posed a challenge to practitioners, as they do not readily provide insight into the model's confidence and uncertainty. Tackling this issue is no simple feat, primarily due to the complexity involved in implementing techniques that can make use of the latent representations learned during pre-training without relying on explicit labels. Motivated by this, we introduce a new stochastic vision transformer that integrates uncertainty and distance awareness into self-supervised learning (SSL) pipelines. Instead of the conventional deterministic vector embedding, our novel stochastic vision transformer encodes image patches into elliptical Gaussian distributional embeddings. Notably, the attention matrices of these stochastic representational embeddings are computed using Wasserstein distance-based attention, effectively capitalizing on the distributional nature of these embeddings. Additionally, we propose a regularization term based on Wasserstein distance for both pre-training and fine-tuning processes, thereby incorporating distance awareness into latent representations. We perform extensive experiments across different tasks such as in-distribution generalization, out-of-distribution detection, dataset corruption, semi-supervised settings, and transfer learning to other datasets and tasks. Our proposed method achieves superior accuracy and calibration, surpassing the self-supervised baseline in a wide range of experiments on a variety of datasets.

AttributionLab: Faithfulness of Feature Attribution Under Controllable Environments

Feature attribution explains neural network outputs by identifying relevant input features. How do we know if the identified features are indeed relevant to the network? This notion is referred to as faithfulness, an essential property that reflects the alignment between the identified (attributed) features and the features used by the model. One recent trend to test faithfulness is to design the data such that we know which input features are relevant to the label and then train a model on the designed data. Subsequently, the identified features are evaluated by comparing them with these designed ground truth features. However, this idea has the underlying assumption that the neural network learns to use all and only these designed features, while there is no guarantee that the learning process trains the network in this way. In this paper, we solve this missing link by explicitly designing the neural network by manually setting its weights, along with designing data, so we know precisely which input features in the dataset are relevant to the designed network. Thus, we can test faithfulness in AttributionLab, our designed synthetic environment, which serves as a sanity check and is effective in filtering out attribution methods. If an attribution method is not faithful in a simple controlled environment, it can be unreliable in more complex scenarios. Furthermore, the AttributionLab environment serves as a laboratory for controlled experiments through which we can study feature attribution methods, identify issues, and suggest potential improvements.

Probabilistic Self-supervised Learning via Scoring Rules Minimization

In this paper, we propose a novel probabilistic self-supervised learning via Scoring Rule Minimization (ProSMIN), which leverages the power of probabilistic models to enhance representation quality and mitigate collapsing representations. Our proposed approach involves two neural networks; the online network and the target network, which collaborate and learn the diverse distribution of representations from each other through knowledge distillation. By presenting the input samples in two augmented formats, the online network is trained to predict the target network representation of the same sample under a different augmented view. The two networks are trained via our new loss function based on proper scoring rules. We provide a theoretical justification for ProSMIN's convergence, demonstrating the strict propriety of its modified scoring rule. This insight validates the method's optimization process and contributes to its robustness and effectiveness in improving representation quality. We evaluate our probabilistic model on various downstream tasks, such as in-distribution generalization, out-of-distribution detection, dataset corruption, low-shot learning, and transfer learning. Our method achieves superior accuracy and calibration, surpassing the self-supervised baseline in a wide range of experiments on large-scale datasets like ImageNet-O and ImageNet-C, ProSMIN demonstrates its scalability and real-world applicability.

Diversified Ensemble of Independent Sub-Networks for Robust Self-Supervised Representation Learning

Ensembling a neural network is a widely recognized approach to enhance model performance, estimate uncertainty, and improve robustness in deep supervised learning. However, deep ensembles often come with high computational costs and memory demands. In addition, the efficiency of a deep ensemble is related to diversity among the ensemble members which is challenging for large, over-parameterized deep neural networks. Moreover, ensemble learning has not yet seen such widespread adoption, and it remains a challenging endeavor for self-supervised or unsupervised representation learning. Motivated by these challenges, we present a novel self-supervised training regime that leverages an ensemble of independent sub-networks, complemented by a new loss function designed to encourage diversity. Our method efficiently builds a sub-model ensemble with high diversity, leading to well-calibrated estimates of model uncertainty, all achieved with minimal computational overhead compared to traditional deep self-supervised ensembles. To evaluate the effectiveness of our approach, we conducted extensive experiments across various tasks, including in-distribution generalization, out-of-distribution detection, dataset corruption, and semi-supervised settings. The results demonstrate that our method significantly improves prediction reliability. Our approach not only achieves excellent accuracy but also enhances calibration, surpassing baseline performance across a wide range of self-supervised architectures in computer vision, natural language processing, and genomics data.

A Dual-Perspective Approach to Evaluating Feature Attribution Methods

Feature attribution methods attempt to explain neural network predictions by identifying relevant features. However, establishing a cohesive framework for assessing feature attribution remains a challenge. There are several views through which we can evaluate attributions. One principal lens is to observe the effect of perturbing attributed features on the model's behavior (i.e., faithfulness). While providing useful insights, existing faithfulness evaluations suffer from shortcomings that we reveal in this paper. In this work, we propose two new perspectives within the faithfulness paradigm that reveal intuitive properties: soundness and completeness. Soundness assesses the degree to which attributed features are truly predictive features, while completeness examines how well the resulting attribution reveals all the predictive features. The two perspectives are based on a firm mathematical foundation and provide quantitative metrics that are computable through efficient algorithms. We apply these metrics to mainstream attribution methods, offering a novel lens through which to analyze and compare feature attribution methods.

Efficient Document Embeddings via Self-Contrastive Bregman Divergence Learning

Learning quality document embeddings is a fundamental problem in natural language processing (NLP), information retrieval (IR), recommendation systems, and search engines. Despite recent advances in the development of transformer-based models that produce sentence embeddings with self-contrastive learning, the encoding of long documents (Ks of words) is still challenging with respect to both efficiency and quality considerations. Therefore, we train Longfomer-based document encoders using a state-of-the-art unsupervised contrastive learning method (SimCSE). Further on, we complement the baseline method -- siamese neural network -- with additional convex neural networks based on functional Bregman divergence aiming to enhance the quality of the output document representations. We show that overall the combination of a self-contrastive siamese network and our proposed neural Bregman network outperforms the baselines in two linear classification settings on three long document topic classification tasks from the legal and biomedical domains.

Biomedical image analysis competitions: The state of current participation practice

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

Joint Debiased Representation and Image Clustering Learning with Self-Supervision

Contrastive learning is among the most successful methods for visual representation learning, and its performance can be further improved by jointly performing clustering on the learned representations. However, existing methods for joint clustering and contrastive learning do not perform well on long-tailed data distributions, as majority classes overwhelm and distort the loss of minority classes, thus preventing meaningful representations to be learned. Motivated by this, we develop a novel joint clustering and contrastive learning framework by adapting the debiased contrastive loss to avoid under-clustering minority classes of imbalanced datasets. We show that our proposed modified debiased contrastive loss and divergence clustering loss improves the performance across multiple datasets and learning tasks. The source code is available at https://anonymous.4open.science/r/SSL-debiased-clustering