Jie Fu

Moksh Jain, Emmanuel Bengio, Alex-Hernandez Garcia et al. · mila

Design of de novo biological sequences with desired properties, like protein and DNA sequences, often involves an active loop with several rounds of molecule ideation and expensive wet-lab evaluations. These experiments can consist of multiple stages, with increasing levels of precision and cost of evaluation, where candidates are filtered. This makes the diversity of proposed candidates a key consideration in the ideation phase. In this work, we propose an active learning algorithm leveraging epistemic uncertainty estimation and the recently proposed GFlowNets as a generator of diverse candidate solutions, with the objective to obtain a diverse batch of useful (as defined by some utility function, for example, the predicted anti-microbial activity of a peptide) and informative candidates after each round. We also propose a scheme to incorporate existing labeled datasets of candidates, in addition to a reward function, to speed up learning in GFlowNets. We present empirical results on several biological sequence design tasks, and we find that our method generates more diverse and novel batches with high scoring candidates compared to existing approaches.

Jiaxin Ge, Hongyin Luo, Siyuan Qian et al. · pku

Language-Image Pre-training has demonstrated promising results on zero-shot and few-shot downstream tasks by prompting visual models with natural language prompts. However, most recent studies only use a single prompt for tuning, neglecting the inherent step-to-step cognitive reasoning process that humans conduct in complex task settings, for example, when processing images from unfamiliar domains. Chain of Thought is a simple and effective approximation to human reasoning process and has been proven useful for natural language processing (NLP) tasks. Based on this cognitive intuition, we believe that conducting effective reasoning is also an important problem in visual tasks, and a chain of thought could be a solution to this problem. In this work, we propose a novel chain of thought prompt tuning for vision-language modeling. Extensive experiments show that our method not only generalizes better in image classification tasks, has greater transferability beyond a single dataset, and has stronger domain generalization performance, but also performs much better in imagetext retrieval and visual question answering, which require more reasoning capabilities. We are the first to successfully adapt chain-of-thought prompting that combines visual and textual embeddings. We will release our codes

Xu Ma, Huan Wang, Can Qin et al.

Vision Transformers have shown great promise recently for many vision tasks due to the insightful architecture design and attention mechanism. By revisiting the self-attention responses in Transformers, we empirically observe two interesting issues. First, Vision Transformers present a queryirrelevant behavior at deep layers, where the attention maps exhibit nearly consistent contexts in global scope, regardless of the query patch position (also head-irrelevant). Second, the attention maps are intrinsically sparse, few tokens dominate the attention weights; introducing the knowledge from ConvNets would largely smooth the attention and enhance the performance. Motivated by above observations, we generalize self-attention formulation to abstract a queryirrelevant global context directly and further integrate the global context into convolutions. The resulting model, a Fully Convolutional Vision Transformer (i.e., FCViT), purely consists of convolutional layers and firmly inherits the merits of both attention mechanism and convolutions, including dynamic property, weight sharing, and short- and long-range feature modeling, etc. Experimental results demonstrate the effectiveness of FCViT. With less than 14M parameters, our FCViT-S12 outperforms related work ResT-Lite by 3.7% top1 accuracy on ImageNet-1K. When scaling FCViT to larger models, we still perform better than previous state-of-the-art ConvNeXt with even fewer parameters. FCViT-based models also demonstrate promising transferability to downstream tasks, like object detection, instance segmentation, and semantic segmentation. Codes and models are made available at: https://github.com/ma-xu/FCViT.

Ning Shi, Bin Tang, Bo Yuan et al. · meta-ai, mila

Text editing, such as grammatical error correction, arises naturally from imperfect textual data. Recent works frame text editing as a multi-round sequence tagging task, where operations -- such as insertion and substitution -- are represented as a sequence of tags. While achieving good results, this encoding is limited in flexibility as all actions are bound to token-level tags. In this work, we reformulate text editing as an imitation game using behavioral cloning. Specifically, we convert conventional sequence-to-sequence data into state-to-action demonstrations, where the action space can be as flexible as needed. Instead of generating the actions one at a time, we introduce a dual decoders structure to parallel the decoding while retaining the dependencies between action tokens, coupled with trajectory augmentation to alleviate the distribution shift that imitation learning often suffers. In experiments on a suite of Arithmetic Equation benchmarks, our model consistently outperforms the autoregressive baselines in terms of performance, efficiency, and robustness. We hope our findings will shed light on future studies in reinforcement learning applying sequence-level action generation to natural language processing.

Sitao Luan, Chenqing Hua, Minkai Xu et al.

Homophily principle, i.e., nodes with the same labels are more likely to be connected, has been believed to be the main reason for the performance superiority of Graph Neural Networks (GNNs) over Neural Networks on node classification tasks. Recent research suggests that, even in the absence of homophily, the advantage of GNNs still exists as long as nodes from the same class share similar neighborhood patterns. However, this argument only considers intra-class Node Distinguishability (ND) but neglects inter-class ND, which provides incomplete understanding of homophily on GNNs. In this paper, we first demonstrate such deficiency with examples and argue that an ideal situation for ND is to have smaller intra-class ND than inter-class ND. To formulate this idea and study ND deeply, we propose Contextual Stochastic Block Model for Homophily (CSBM-H) and define two metrics, Probabilistic Bayes Error (PBE) and negative generalized Jeffreys divergence, to quantify ND. With the metrics, we visualize and analyze how graph filters, node degree distributions and class variances influence ND, and investigate the combined effect of intra- and inter-class ND. Besides, we discovered the mid-homophily pitfall, which occurs widely in graph datasets. Furthermore, we verified that, in real-work tasks, the superiority of GNNs is indeed closely related to both intra- and inter-class ND regardless of homophily levels. Grounded in this observation, we propose a new hypothesis-testing based performance metric beyond homophily, which is non-linear, feature-based and can provide statistical threshold value for GNNs' the superiority. Experiments indicate that it is significantly more effective than the existing homophily metrics on revealing the advantage and disadvantage of graph-aware modes on both synthetic and benchmark real-world datasets.

Cong Wei, Yang Chen, Haonan Chen et al.

Existing information retrieval (IR) models often assume a homogeneous format, limiting their applicability to diverse user needs, such as searching for images with text descriptions, searching for a news article with a headline image, or finding a similar photo with a query image. To approach such different information-seeking demands, we introduce UniIR, a unified instruction-guided multimodal retriever capable of handling eight distinct retrieval tasks across modalities. UniIR, a single retrieval system jointly trained on ten diverse multimodal-IR datasets, interprets user instructions to execute various retrieval tasks, demonstrating robust performance across existing datasets and zero-shot generalization to new tasks. Our experiments highlight that multi-task training and instruction tuning are keys to UniIR's generalization ability. Additionally, we construct the M-BEIR, a multimodal retrieval benchmark with comprehensive results, to standardize the evaluation of universal multimodal information retrieval.

Lening Li, Hazhar Rahmani, Jie Fu · mila

This paper studies temporal planning in probabilistic environments, modeled as labeled Markov decision processes (MDPs), with user preferences over multiple temporal goals. Existing works reflect such preferences as a prioritized list of goals. This paper introduces a new specification language, termed prioritized qualitative choice linear temporal logic on finite traces, which augments linear temporal logic on finite traces with prioritized conjunction and ordered disjunction from prioritized qualitative choice logic. This language allows for succinctly specifying temporal objectives with corresponding preferences accomplishing each temporal task. The finite traces that describe the system's behaviors are ranked based on their dissatisfaction scores with respect to the formula. We propose a systematic translation from the new language to a weighted deterministic finite automaton. Utilizing this computational model, we formulate and solve a problem of computing an optimal policy that minimizes the expected score of dissatisfaction given user preferences. We demonstrate the efficacy and applicability of the logic and the algorithm on several case studies with detailed analyses for each.

Abhishek N. Kulkarni, Jie Fu · mila

Preferences play a key role in determining what goals/constraints to satisfy when not all constraints can be satisfied simultaneously. In this paper, we study how to synthesize preference satisfying plans in stochastic systems, modeled as an MDP, given a (possibly incomplete) combinative preference model over temporally extended goals. We start by introducing new semantics to interpret preferences over infinite plays of the stochastic system. Then, we introduce a new notion of improvement to enable comparison between two prefixes of an infinite play. Based on this, we define two solution concepts called safe and positively improving (SPI) and safe and almost-surely improving (SASI) that enforce improvements with a positive probability and with probability one, respectively. We construct a model called an improvement MDP, in which the synthesis of SPI and SASI strategies that guarantee at least one improvement reduces to computing positive and almost-sure winning strategies in an MDP. We present an algorithm to synthesize the SPI and SASI strategies that induce multiple sequential improvements. We demonstrate the proposed approach using a robot motion planning problem.

Jie Fu, Zhili Chen, Xiao Han

Federated learning seeks to address the issue of isolated data islands by making clients disclose only their local training models. However, it was demonstrated that private information could still be inferred by analyzing local model parameters, such as deep neural network model weights. Recently, differential privacy has been applied to federated learning to protect data privacy, but the noise added may degrade the learning performance much. Typically, in previous work, training parameters were clipped equally and noises were added uniformly. The heterogeneity and convergence of training parameters were simply not considered. In this paper, we propose a differentially private scheme for federated learning with adaptive noise (Adap DP-FL). Specifically, due to the gradient heterogeneity, we conduct adaptive gradient clipping for different clients and different rounds; due to the gradient convergence, we add decreasing noises accordingly. Extensive experiments on real-world datasets demonstrate that our Adap DP-FL outperforms previous methods significantly.

Chenqing Hua, Sitao Luan, Qian Zhang et al.

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model real-world scenarios in compact graphical representations of distributions of variables. Graph Neural Networks (GNNs) are new inference methods developed in recent years and are attracting growing attention due to their effectiveness and flexibility in solving inference and learning problems over graph-structured data. These two powerful approaches have different advantages in capturing relations from observations and how they conduct message passing, and they can benefit each other in various tasks. In this survey, we broadly study the intersection of GNNs and PGMs. Specifically, we first discuss how GNNs can benefit from learning structured representations in PGMs, generate explainable predictions by PGMs, and how PGMs can infer object relationships. Then we discuss how GNNs are implemented in PGMs for more efficient inference and structure learning. In the end, we summarize the benchmark datasets used in recent studies and discuss promising future directions.

Ka Man Lo, Yiming Liang, Wenyu Du et al.

Modular neural architectures are gaining attention for their powerful generalization and efficient adaptation to new domains. However, training these models poses challenges due to optimization difficulties arising from intrinsic sparse connectivity. Leveraging knowledge from monolithic models through techniques like knowledge distillation can facilitate training and enable integration of diverse knowledge. Nevertheless, conventional knowledge distillation approaches are not tailored to modular models and struggle with unique architectures and enormous parameter counts. Motivated by these challenges, we propose module-to-module knowledge distillation (m2mKD) for transferring knowledge between modules. m2mKD combines teacher modules of a pretrained monolithic model and student modules of a modular model with a shared meta model respectively to encourage the student module to mimic the behaviour of the teacher module. We evaluate m2mKD on two modular neural architectures: Neural Attentive Circuits (NACs) and Vision Mixture-of-Experts (V-MoE). Applying m2mKD to NACs yields significant improvements in IID accuracy on Tiny-ImageNet (up to 5.6%) and OOD robustness on Tiny-ImageNet-R (up to 4.2%). Additionally, the V-MoE-Base model trained with m2mKD achieves 3.5% higher accuracy than end-to-end training on ImageNet-1k. Code is available at https://github.com/kamanphoebe/m2mKD.

Siwei Wu, Yizhi Li, Kang Zhu et al.

Multi-modal information retrieval (MMIR) is a rapidly evolving field, where significant progress, particularly in image-text pairing, has been made through advanced representation learning and cross-modality alignment research. However, current benchmarks for evaluating MMIR performance in image-text pairing within the scientific domain show a notable gap, where chart and table images described in scholarly language usually do not play a significant role. To bridge this gap, we develop a specialised scientific MMIR (SciMMIR) benchmark by leveraging open-access paper collections to extract data relevant to the scientific domain. This benchmark comprises 530K meticulously curated image-text pairs, extracted from figures and tables with detailed captions in scientific documents. We further annotate the image-text pairs with two-level subset-subcategory hierarchy annotations to facilitate a more comprehensive evaluation of the baselines. We conducted zero-shot and fine-tuning evaluations on prominent multi-modal image-captioning and visual language models, such as CLIP and BLIP. Our analysis offers critical insights for MMIR in the scientific domain, including the impact of pre-training and fine-tuning settings and the influence of the visual and textual encoders. All our data and checkpoints are publicly available at https://github.com/Wusiwei0410/SciMMIR.

Hazhar Rahmani, Abhishek N. Kulkarni, Jie Fu

Human preferences are not always represented via complete linear orders: It is natural to employ partially-ordered preferences for expressing incomparable outcomes. In this work, we consider decision-making and probabilistic planning in stochastic systems modeled as Markov decision processes (MDPs), given a partially ordered preference over a set of temporally extended goals. Specifically, each temporally extended goal is expressed using a formula in Linear Temporal Logic on Finite Traces (LTL$_f$). To plan with the partially ordered preference, we introduce order theory to map a preference over temporal goals to a preference over policies for the MDP. Accordingly, a most preferred policy under a stochastic ordering induces a stochastic nondominated probability distribution over the finite paths in the MDP. To synthesize a most preferred policy, our technical approach includes two key steps. In the first step, we develop a procedure to transform a partially ordered preference over temporal goals into a computational model, called preference automaton, which is a semi-automaton with a partial order over acceptance conditions. In the second step, we prove that finding a most preferred policy is equivalent to computing a Pareto-optimal policy in a multi-objective MDP that is constructed from the original MDP, the preference automaton, and the chosen stochastic ordering relation. Throughout the paper, we employ running examples to illustrate the proposed preference specification and solution approaches. We demonstrate the efficacy of our algorithm using these examples, providing detailed analysis, and then discuss several potential future directions.

Zhongwei Wan, Che Liu, Mi Zhang et al.

The scarcity of data presents a critical obstacle to the efficacy of medical visionlanguage pre-training (VLP). A potential solution lies in the combination of datasets from various language communities. Nevertheless, the main challenge stems from the complexity of integrating diverse syntax and semantics, language-specific medical terminology, and culture-specific implicit knowledge. Therefore, one crucial aspect to consider is the presence of community bias caused by different languages. This paper presents a novel framework named Unifying Cross-Lingual Medical Vision-Language Pre-Training (Med-UniC), designed to integrate multimodal medical data from the two most prevalent languages, English and Spanish. Specifically, we propose Cross-lingual Text Alignment Regularization (CTR) to explicitly unify cross-lingual semantic representations of medical reports originating from diverse language communities. CTR is optimized through latent language disentanglement, rendering our optimization objective to not depend on negative samples, thereby significantly mitigating the bias from determining positive-negative sample pairs within analogous medical reports. Furthermore, it ensures that the cross-lingual representation is not biased toward any specific language community. Med-UniC reaches superior performance across 5 medical image tasks and 10 datasets encompassing over 30 diseases, offering a versatile framework for unifying multi-modal medical data within diverse linguistic communities. The experimental outcomes highlight the presence of community bias in cross-lingual VLP. Reducing this bias enhances the performance not only in vision-language tasks but also in uni-modal visual tasks.

Jikun Kang, Miao Liu, Abhinav Gupta et al.

Various automatic curriculum learning (ACL) methods have been proposed to improve the sample efficiency and final performance of deep reinforcement learning (DRL). They are designed to control how a DRL agent collects data, which is inspired by how humans gradually adapt their learning processes to their capabilities. For example, ACL can be used for subgoal generation, reward shaping, environment generation, or initial state generation. However, prior work only considers curriculum learning following one of the aforementioned predefined paradigms. It is unclear which of these paradigms are complementary, and how the combination of them can be learned from interactions with the environment. Therefore, in this paper, we propose a unified automatic curriculum learning framework to create multi-objective but coherent curricula that are generated by a set of parametric curriculum modules. Each curriculum module is instantiated as a neural network and is responsible for generating a particular curriculum. In order to coordinate those potentially conflicting modules in unified parameter space, we propose a multi-task hyper-net learning framework that uses a single hyper-net to parameterize all those curriculum modules. In addition to existing hand-designed curricula paradigms, we further design a flexible memory mechanism to learn an abstract curriculum, which may otherwise be difficult to design manually. We evaluate our method on a series of robotic manipulation tasks and demonstrate its superiority over other state-of-the-art ACL methods in terms of sample efficiency and final performance.

Fan Wang, Hao Tian, Haoyi Xiong et al.

Artificial neural networks (ANNs) are typically confined to accomplishing pre-defined tasks by learning a set of static parameters. In contrast, biological neural networks (BNNs) can adapt to various new tasks by continually updating the neural connections based on the inputs, which is aligned with the paradigm of learning effective learning rules in addition to static parameters, e.g., meta-learning. Among various biologically inspired learning rules, Hebbian plasticity updates the neural network weights using local signals without the guide of an explicit target function, thus enabling an agent to learn automatically without human efforts. However, typical plastic ANNs using a large amount of meta-parameters violate the nature of the genomics bottleneck and potentially deteriorate the generalization capacity. This work proposes a new learning paradigm decomposing those connection-dependent plasticity rules into neuron-dependent rules thus accommodating $Θ(n^2)$ learnable parameters with only $Θ(n)$ meta-parameters. We also thoroughly study the effect of different neural modulation on plasticity. Our algorithms are tested in challenging random 2D maze environments, where the agents have to use their past experiences to shape the neural connections and improve their performances for the future. The results of our experiment validate the following: 1. Plasticity can be adopted to continually update a randomly initialized RNN to surpass pre-trained, more sophisticated recurrent models, especially when coming to long-term memorization. 2. Following the genomics bottleneck, the proposed decomposed plasticity can be comparable to or even more effective than canonical plasticity rules in some instances.

Abhishek N. Kulkarni, Shuo Han, Nandi O. Leslie et al.

We consider the probabilistic planning problem where the agent (called Player 1, or P1) can jointly plan the control actions and sensor queries in a sensor network and an attacker (called player 2, or P2) can carry out attacks on the sensors. We model such an adversarial interaction using a formal model -- a reachability game with partially controllable observation functions. The main contribution of this paper is to assess the cost of P1's unawareness: Suppose P1 misinterprets the sensor failures as probabilistic node failures due to unreliable network communication, and P2 is aware of P1's misinterpretation in addition to her partial observability. Then, from which states can P2 carry out sensor attacks to ensure, with probability one, that P1 will not be able to complete her reachability task even though, due to misinterpretation, P1 believes that she can almost-surely achieve her task. We develop an algorithm to solve the almost-sure winning sensor-attack strategy given P1's observation-based strategy. Our attack analysis could be used for attack detection in wireless communication networks and the design of provably secured attack-aware sensor allocation in decision-theoretic models for cyber-physical systems.

Songyang Han, Shanglin Zhou, Jiangwei Wang et al.

The recent advancements in wireless technology enable connected autonomous vehicles (CAVs) to gather information about their environment by vehicle-to-vehicle (V2V) communication. In this work, we design an information-sharing-based multi-agent reinforcement learning (MARL) framework for CAVs, to take advantage of the extra information when making decisions to improve traffic efficiency and safety. The safe actor-critic algorithm we propose has two new techniques: the truncated Q-function and safe action mapping. The truncated Q-function utilizes the shared information from neighboring CAVs such that the joint state and action spaces of the Q-function do not grow in our algorithm for a large-scale CAV system. We prove the bound of the approximation error between the truncated-Q and global Q-functions. The safe action mapping provides a provable safety guarantee for both the training and execution based on control barrier functions. Using the CARLA simulator for experiments, we show that our approach can improve the CAV system's efficiency in terms of average velocity and comfort under different CAV ratios and different traffic densities. We also show that our approach avoids the execution of unsafe actions and always maintains a safe distance from other vehicles. We construct an obstacle-at-corner scenario to show that the shared vision can help CAVs to observe obstacles earlier and take action to avoid traffic jams.

Steven Carr, Nils Jansen, Ralf Wimmer et al.

We study planning problems where autonomous agents operate inside environments that are subject to uncertainties and not fully observable. Partially observable Markov decision processes (POMDPs) are a natural formal model to capture such problems. Because of the potentially huge or even infinite belief space in POMDPs, synthesis with safety guarantees is, in general, computationally intractable. We propose an approach that aims to circumvent this difficulty: in scenarios that can be partially or fully simulated in a virtual environment, we actively integrate a human user to control an agent. While the user repeatedly tries to safely guide the agent in the simulation, we collect data from the human input. Via behavior cloning, we translate the data into a strategy for the POMDP. The strategy resolves all nondeterminism and non-observability of the POMDP, resulting in a discrete-time Markov chain (MC). The efficient verification of this MC gives quantitative insights into the quality of the inferred human strategy by proving or disproving given system specifications. For the case that the quality of the strategy is not sufficient, we propose a refinement method using counterexamples presented to the human. Experiments show that by including humans into the POMDP verification loop we improve the state of the art by orders of magnitude in terms of scalability.