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Single neurons in neural networks are often ``interpretable'' in that they represent individual, intuitively meaningful features. However, many neurons exhibit $\textit{mixed selectivity}$, i.e., they represent multiple unrelated features. A recent hypothesis proposes that features in deep networks may be represented in $\textit{superposition}$, i.e., on non-orthogonal axes by multiple neurons, since the number of possible interpretable features in natural data is generally larger than the number of neurons in a given network. Accordingly, we should be able to find meaningful directions in activation space that are not aligned with individual neurons. Here, we propose (1) an automated method for quantifying visual interpretability that is validated against a large database of human psychophysics judgments of neuron interpretability, and (2) an approach for finding meaningful directions in network activation space. We leverage these methods to discover directions in convolutional neural networks that are more intuitively meaningful than individual neurons, as we confirm and investigate in a series of analyses. Moreover, we apply the same method to two recent datasets of visual neural responses in the brain and find that our conclusions largely transfer to real neural data, suggesting that superposition might be deployed by the brain. This also provides a link with disentanglement and raises fundamental questions about robust, efficient and factorized representations in both artificial and biological neural systems.

Telehealth is a valuable tool for primary health care (PHC), where depression is a common condition. PHC is the first point of contact for most people with depression, but about 25% of diagnoses made by PHC physicians are inaccurate. Many other barriers also hinder depression detection and treatment in PHC. Artificial intelligence (AI) may help reduce depression misdiagnosis in PHC and improve overall diagnosis and treatment outcomes. Telehealth consultations often have video issues, such as poor connectivity or dropped calls. Audio-only telehealth is often more practical for lower-income patients who may lack stable internet connections. Thus, our study focused on using audio data to predict depression risk. The objectives were to: 1) Collect audio data from 24 people (12 with depression and 12 without mental health or major health condition diagnoses); 2) Build a machine learning model to predict depression risk. TPOT, an autoML tool, was used to select the best machine learning algorithm, which was the K-nearest neighbors classifier. The selected model had high performance in classifying depression risk (Precision: 0.98, Recall: 0.93, F1-Score: 0.96). These findings may lead to a range of tools to help screen for and treat depression. By developing tools to detect depression risk, patients can be routed to AI-driven chatbots for initial screenings. Partnerships with a range of stakeholders are crucial to implementing these solutions. Moreover, ethical considerations, especially around data privacy and potential biases in AI models, need to be at the forefront of any AI-driven intervention in mental health care.

The discovery of therapeutic molecules is fundamentally a multi-objective optimization problem. One formulation of the problem is to identify molecules that simultaneously exhibit strong binding affinity for a target protein, minimal off-target interactions, and suitable pharmacokinetic properties. Inspired by prior work that uses active learning to accelerate the identification of strong binders, we implement multi-objective Bayesian optimization to reduce the computational cost of multi-property virtual screening and apply it to the identification of ligands predicted to be selective based on docking scores to on- and off-targets. We demonstrate the superiority of Pareto optimization over scalarization across three case studies. Further, we use the developed optimization tool to search a virtual library of over 4M molecules for those predicted to be selective dual inhibitors of EGFR and IGF1R, acquiring 100% of the molecules that form the library's Pareto front after exploring only 8% of the library. This workflow and associated open source software can reduce the screening burden of molecular design projects and is complementary to research aiming to improve the accuracy of binding predictions and other molecular properties.

Causal inference from observational data is crucial for many disciplines such as medicine and economics. However, sharp bounds for causal effects under relaxations of the unconfoundedness assumption (causal sensitivity analysis) are subject to ongoing research. So far, works with sharp bounds are restricted to fairly simple settings (e.g., a single binary treatment). In this paper, we propose a unified framework for causal sensitivity analysis under unobserved confounding in various settings. For this, we propose a flexible generalization of the marginal sensitivity model (MSM) and then derive sharp bounds for a large class of causal effects. This includes (conditional) average treatment effects, effects for mediation analysis and path analysis, and distributional effects. Furthermore, our sensitivity model is applicable to discrete, continuous, and time-varying treatments. It allows us to interpret the partial identification problem under unobserved confounding as a distribution shift in the latent confounders while evaluating the causal effect of interest. In the special case of a single binary treatment, our bounds for (conditional) average treatment effects coincide with recent optimality results for causal sensitivity analysis. Finally, we propose a scalable algorithm to estimate our sharp bounds from observational data.

Model-based approaches for planning and control for bipedal locomotion have a long history of success. It can provide stability and safety guarantees while being effective in accomplishing many locomotion tasks. Model-free reinforcement learning, on the other hand, has gained much popularity in recent years due to computational advancements. It can achieve high performance in specific tasks, but it lacks physical interpretability and flexibility in re-purposing the policy for a different set of tasks. For instance, we can initially train a neural network (NN) policy using velocity commands as inputs. However, to handle new task commands like desired hand or footstep locations at a desired walking velocity, we must retrain a new NN policy. In this work, we attempt to bridge the gap between these two bodies of work on a bipedal platform. We formulate a model-based reinforcement learning problem to learn a reduced-order model (ROM) within a model predictive control (MPC). Results show a 49% improvement in viable task region size and a 21% reduction in motor torque cost. All videos and code are available at //sites.google.com/view/ymchen/research/rl-for-roms.

Diffusion models (DMs) have demonstrated advantageous potential on generative tasks. Widespread interest exists in incorporating DMs into downstream applications, such as producing or editing photorealistic images. However, practical deployment and unprecedented power of DMs raise legal issues, including copyright protection and monitoring of generated content. In this regard, watermarking has been a proven solution for copyright protection and content monitoring, but it is underexplored in the DMs literature. Specifically, DMs generate samples from longer tracks and may have newly designed multimodal structures, necessitating the modification of conventional watermarking pipelines. To this end, we conduct comprehensive analyses and derive a recipe for efficiently watermarking state-of-the-art DMs (e.g., Stable Diffusion), via training from scratch or finetuning. Our recipe is straightforward but involves empirically ablated implementation details, providing a foundation for future research on watermarking DMs. The code is available at //github.com/yunqing-me/WatermarkDM.

With increasing interest in adaptive clinical trial designs, challenges are present to drug supply chain management which may offset the benefit of adaptive designs. Thus, it is necessary to develop an optimization tool to facilitate the decision making and analysis of drug supply chain planning. The challenges include the uncertainty of maximum drug supply needed, the shifting of supply requirement, and rapid availability of new supply at decision points. In this paper, statistical simulations are designed to optimize the pre-study medication supply strategy and monitor ongoing drug supply using real-time data collected with the progress of study. Particle swarm algorithm is applied when performing optimization, where feature extraction is implemented to reduce dimensionality and save computational cost.

Large Language Models (LLMs) have shown excellent generalization capabilities that have led to the development of numerous models. These models propose various new architectures, tweaking existing architectures with refined training strategies, increasing context length, using high-quality training data, and increasing training time to outperform baselines. Analyzing new developments is crucial for identifying changes that enhance training stability and improve generalization in LLMs. This survey paper comprehensively analyses the LLMs architectures and their categorization, training strategies, training datasets, and performance evaluations and discusses future research directions. Moreover, the paper also discusses the basic building blocks and concepts behind LLMs, followed by a complete overview of LLMs, including their important features and functions. Finally, the paper summarizes significant findings from LLM research and consolidates essential architectural and training strategies for developing advanced LLMs. Given the continuous advancements in LLMs, we intend to regularly update this paper by incorporating new sections and featuring the latest LLM models.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

Visual Question Answering (VQA) models have struggled with counting objects in natural images so far. We identify a fundamental problem due to soft attention in these models as a cause. To circumvent this problem, we propose a neural network component that allows robust counting from object proposals. Experiments on a toy task show the effectiveness of this component and we obtain state-of-the-art accuracy on the number category of the VQA v2 dataset without negatively affecting other categories, even outperforming ensemble models with our single model. On a difficult balanced pair metric, the component gives a substantial improvement in counting over a strong baseline by 6.6%.