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Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in various LLM architectures, including Transformers and State Space Models (SSMs). We find that intermediate layers often yield more informative representations for downstream tasks than the final layers. To measure the representation quality, we adapt and apply a suite of metrics - such as prompt entropy, curvature, and augmentation-invariance - originally proposed in other contexts. Our empirical study reveals significant architectural differences, how representations evolve throughout training, and how factors like input randomness and prompt length affect each layer. Notably, we observe a bimodal pattern in the entropy of some intermediate layers and consider potential explanations tied to training data. Overall, our results illuminate the internal mechanics of LLMs and guide strategies for architectural optimization and training.

Advancements in large language models (LLMs) have paved the way for LLM-based agent systems that offer enhanced accuracy and interpretability across various domains. Radiology, with its complex analytical requirements, is an ideal field for the application of these agents. This paper aims to investigate the pre-requisite question for building concrete radiology agents which is, `Can modern LLMs act as agent cores in radiology environments?' To investigate it, we introduce RadABench with three-fold contributions: First, we present RadABench-Data, a comprehensive synthetic evaluation dataset for LLM-based agents, generated from an extensive taxonomy encompassing 6 anatomies, 5 imaging modalities, 10 tool categories, and 11 radiology tasks. Second, we propose RadABench-EvalPlat, a novel evaluation platform for agents featuring a prompt-driven workflow and the capability to simulate a wide range of radiology toolsets. Third, we assess the performance of 7 leading LLMs on our benchmark from 5 perspectives with multiple metrics. Our findings indicate that while current LLMs demonstrate strong capabilities in many areas, they are still not sufficiently advanced to serve as the central agent core in a fully operational radiology agent system. Additionally, we identify key factors influencing the performance of LLM-based agent cores, offering insights for clinicians on how to apply agent systems in real-world radiology practices effectively. All of our code and data are open-sourced in //github.com/MAGIC-AI4Med/RadABench.

We study to which extent additive fairness metrics (statistical parity, equal opportunity and equalized odds) can be influenced in a multi-class classification problem by memorizing a subset of the population. We give explicit expressions for the bias resulting from memorization in terms of the label and group membership distribution of the memorized dataset and the classifier bias on the unmemorized dataset. We also characterize the memorized datasets that eliminate the bias for all three metrics considered. Finally we provide upper and lower bounds on the total probability mass in the memorized dataset that is necessary for the complete elimination of these biases.

Offline data are both valuable and practical resources for teaching robots complex behaviors. Ideally, learning agents should not be constrained by the scarcity of available demonstrations, but rather generalize beyond the training distribution. However, the complexity of real-world scenarios typically requires huge amounts of data to prevent neural network policies from picking up on spurious correlations and learning non-causal relationships. We propose CAIAC, a data augmentation method that can create feasible synthetic transitions from a fixed dataset without having access to online environment interactions. By utilizing principled methods for quantifying causal influence, we are able to perform counterfactual reasoning by swapping $\it{action}$-unaffected parts of the state-space between independent trajectories in the dataset. We empirically show that this leads to a substantial increase in robustness of offline learning algorithms against distributional shift.

Cryptic crosswords are puzzles that rely on general knowledge and the solver's ability to manipulate language on different levels, dealing with various types of wordplay. Previous research suggests that solving such puzzles is challenging even for modern NLP models, including Large Language Models (LLMs). However, there is little to no research on the reasons for their poor performance on this task. In this paper, we establish the benchmark results for three popular LLMs: Gemma2, LLaMA3 and ChatGPT, showing that their performance on this task is still significantly below that of humans. We also investigate why these models struggle to achieve superior performance. We release our code and introduced datasets at //github.com/bodasadallah/decrypting-crosswords.

Visual programming prompts LLMs (large language mod-els) to generate executable code for visual tasks like visual question answering (VQA). Prompt-based methods are difficult to improve while also being unreliable and costly in both time and money. Our goal is to develop an efficient visual programming system without 1) using prompt-based LLMs at inference time and 2) a large set of program and answer annotations. We develop a synthetic data augmentation approach and alternative program generation method based on decoupling programs into higher-level skills called templates and the corresponding arguments. Our results show that with data augmentation, prompt-free smaller LLMs ($\approx$ 1B parameters) are competitive with state-of-the art models with the added benefit of much faster inference

Gradient attacks and data poisoning tamper with the training of machine learning algorithms to maliciously alter them and have been proven to be equivalent in convex settings. The extent of harm these attacks can produce in non-convex settings is still to be determined. Gradient attacks can affect far less systems than data poisoning but have been argued to be more harmful since they can be arbitrary, whereas data poisoning reduces the attacker's power to only being able to inject data points to training sets, via e.g. legitimate participation in a collaborative dataset. This raises the question of whether the harm made by gradient attacks can be matched by data poisoning in non-convex settings. In this work, we provide a positive answer in a worst-case scenario and show how data poisoning can mimic a gradient attack to perform an availability attack on (non-convex) neural networks. Through gradient inversion, commonly used to reconstruct data points from actual gradients, we show how reconstructing data points out of malicious gradients can be sufficient to perform a range of attacks. This allows us to show, for the first time, an availability attack on neural networks through data poisoning, that degrades the model's performances to random-level through a minority (as low as 1%) of poisoned points.

Feature attribution methods are popular in interpretable machine learning. These methods compute the attribution of each input feature to represent its importance, but there is no consensus on the definition of "attribution", leading to many competing methods with little systematic evaluation, complicated in particular by the lack of ground truth attribution. To address this, we propose a dataset modification procedure to induce such ground truth. Using this procedure, we evaluate three common methods: saliency maps, rationales, and attentions. We identify several deficiencies and add new perspectives to the growing body of evidence questioning the correctness and reliability of these methods applied on datasets in the wild. We further discuss possible avenues for remedy and recommend new attribution methods to be tested against ground truth before deployment. The code is available at \url{//github.com/YilunZhou/feature-attribution-evaluation}.

Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the local geometry and update iteratively. Even though solving non-convex functions is NP-hard in the worst case, the optimization quality in practice is often not an issue -- optimizers are largely believed to find approximate global minima. Researchers hypothesize a unified explanation for this intriguing phenomenon: most of the local minima of the practically-used objectives are approximately global minima. We rigorously formalize it for concrete instances of machine learning problems.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.