Publications

Predicting Grokking Long Before it Happens: A look into the loss landscape of models which grok
Tikeng Notsawo Pascal Junior
Pascal Notsawo
Self-evaluation and self-prompting to improve the reliability of LLMs
In order to safely deploy Large Language Models (LLMs), they must be capable of dynamically adapting their behavior based on their level of … (voir plus)knowledge and uncertainty associated with specific topics. This adaptive behavior, which we refer to as self-restraint, is non-trivial to teach since it depends on the internal knowledge of an LLM. By default, LLMs are trained to maximize the next token likelihood which does not teach the model to modulate its answer based on its level of uncertainty. In order to learn self-restraint, we devise a simple objective that can encourage the model to produce generation that the model is confident in. To optimize this objective, we introduce ReSearch, an iterative search algorithm based on self-evaluation and self-prompting. Our method results in fewer hallucinations overall, both for known and unknown topics, as the model learns to selectively restrain itself. In addition, our method elegantly incorporates the ability to decline, when the model assesses that it cannot provide a response without a high proportion of hallucination.
Structure-Informed Protein Language Model
Vijil Chenthamarakshan
Aurelie Lozano
Payel Das
Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. Ho… (voir plus)wever, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights will be made available upon acceptance.
Towards DNA-Encoded Library Generation with GFlowNets
Louis Vaillancourt
Doris Alexandra Schuetz
Mathieu Bourgey
Anne Marinier
Distinct social behavior and inter-brain connectivity in Dyads with autistic individuals
Quentin Moreau
Florence Brun
Anaël Ayrolles
Jacqueline Nadel
Autism Spectrum Disorder (ASD) is defined by distinctive socio-cognitive behaviors that deviate from typical patterns. Notably, social imita… (voir plus)tion skills appear to be particularly impacted, manifesting early on in development. This paper compared the behavior and inter-brain dynamics of dyads made up of two typically developing (TD) participants with mixed dyads made up of ASD and TD participants during social imitation tasks. By combining kinematics and EEG-hyperscanning, we show that individuals with ASD exhibited a preference for the follower rather than the lead role in imitating scenarios. Moreover, the study revealed inter-brain synchrony differences, with low-alpha inter-brain synchrony differentiating control and mixed dyads. The study’s findings suggest the importance of studying interpersonal phenomena in dynamic and ecological settings and using hyperscanning methods to capture inter-brain dynamics during actual social interactions.
Communicating Study Design Trade-offs in Software Engineering
Martin P. Robillard
Deeksha M. Arya
Neil Ernst
Jin L.C. Guo
Maxime Lamothe
Mathieu Nassif
Nicole Novielli
Alexander Serebrenik
Igor Steinmacher
Klaas-Jan Stol
A Compositional Typed Semantics for Universal Dependencies
Timothy John O'donnell
Latent Idiom Recognition for a Minimalist Functional Array Language Using Equality Saturation
Accelerating programs is typically done by recognizing code idioms matching high-performance libraries or hardware interfaces. However, reco… (voir plus)gnizing such idioms automatically is challenging. The idiom recognition machinery is difficult to write and requires expert knowledge. In addition, slight variations in the input program might hide the idiom and defeat the recognizer. This paper advocates for the use of a minimalist functional array language supporting a small, but expressive, set of operators. The minimalist design leads to a tiny sets of rewrite rules, which encode the language semantics. Crucially, the same minimalist language is also used to encode idioms. This removes the need for hand-crafted analysis passes, or for having to learn a complex domain-specific language to define the idioms. Coupled with equality saturation, this approach is able to match the core functions from the BLAS and PyTorch libraries on a set of computational kernels. Compared to reference C kernel implementations, the approach produces a geometric mean speedup of 1.46× for C programs using BLAS, when generating such programs from the high-level minimalist language.
Learning and Aligning Structured Random Feature Networks
Muawiz Sajjad Chaudhary
Kameron Decker Harris
Artificial neural networks (ANNs) are considered "black boxes'' due to the difficulty of interpreting their learned weights. While choosing… (voir plus) the best features is not well understood, random feature networks (RFNs) and wavelet scattering ground some ANN learning mechanisms in function space with tractable mathematics. Meanwhile, the genetic code has evolved over millions of years, shaping the brain to develop variable neural circuits with reliable structure that resemble RFNs. We explore a similar approach, embedding neuro-inspired, wavelet-like weights into multilayer RFNs. These can outperform scattering and have kernels that describe their function space at large width. We build learnable and deeper versions of these models where we can optimize separate spatial and channel covariances of the convolutional weight distributions. We find that these networks can perform comparatively with conventional ANNs while dramatically reducing the number of trainable parameters. Channel covariances are most influential, and both weight and activation alignment are needed for classification performance. Our work outlines how neuro-inspired configurations may lead to better performance in key cases and offers a potentially tractable reduced model for ANN learning.
Quality of Service-Constrained Online Routing in High Throughput Satellites
Olfa Ben Yahia
Stéphane Martel
Gunes Karabulut Kurt
High throughput satellites (HTSs) outpace traditional satellites due to their multi-beam transmission. The rise of low Earth orbit mega cons… (voir plus)tellations amplifies HTS data rate demands to terabits/second with acceptable latency. This surge in data rate necessitates multiple modems, often exceeding single device capabilities. Consequently, satellites employ several processors, forming a complex packet-switch network. This can lead to potential internal congestion and challenges in adhering to strict quality of service (QoS) constraints. While significant research exists on constellation-level routing, a literature gap remains on the internal routing within a single HTS. The intricacy of this internal network architecture presents a significant challenge to achieve high data rates. This paper introduces an online optimal flow allocation and scheduling method for HTSs. The problem is presented as a multi-commodity flow instance with different priority data streams. An initial full time horizon model is proposed as a benchmark. We apply a model predictive control (MPC) approach to enable adaptive routing based on current information and the forecast within the prediction time horizon while allowing for deviation of the latter. Importantly, MPC is inherently suited to handle uncertainty in incoming flows. Our approach minimizes the packet loss by optimally and adaptively managing the priority queue schedulers and flow exchanges between satellite processing modules. Central to our method is a routing model focusing on optimal priority scheduling to enhance data rates and maintain QoS. The model's stages are critically evaluated, and results are compared to traditional methods via numerical simulations. Through simulations, our method demonstrates performance nearly on par with the hindsight optimum, showcasing its efficiency and adaptability in addressing satellite communication challenges.
ADMM-Based Hierarchical Single-Loop Framework for EV Charging Scheduling Considering Power Flow Constraints
Sina Kiani
Keyhan Sheshyekani
This article presents a three-layer hierarchical distributed framework for optimal electric vehicle charging scheduling (EVCS). The proposed… (voir plus) hierarchical EVCS structure includes a distribution system operator (DSO) at the top layer, electric vehicle aggregators (EVAs) at the middle layer, and electric vehicles (EVs) charging stations at the bottom layer. A single-loop iterative algorithm is developed to solve the EVCS problem by combining the alternating direction method of multipliers (ADMM) and the distribution line power flow model (DistFlow). Using the single-loop structure, the primal variables of all agents are updated simultaneously at every iteration resulting in a reduced number of iterations and faster convergence. The developed framework is employed to provide charging cost minimization at the EV charging stations level, peak load shaving at the EVAs level, and voltage regulation at the DSO level. In order to further improve the performance of the optimization framework, a neural network-based load forecasting model is implemented to include the uncertainties related to non-EV residential load demand. The efficiency and the optimality of the proposed EVCS framework are evaluated through numerical simulations, conducted for a modified IEEE 13 bus test feeder with different EV penetration levels.
Carbon capture, utilization and sequestration systems design and operation optimization: Assessment and perspectives of artificial intelligence opportunities
Eslam G. Al-Sakkari
Daria C. Boffito
Mouloud Amazouz
Carbon capture, utilization, and sequestration (CCUS) is a promising solution to decarbonize the energy and industrial sector to mitigate cl… (voir plus)imate change. An integrated assessment of technological options is required for the effective deployment of CCUS large-scale infrastructure between CO2 production and utilization/sequestration nodes. However, developing cost-effective strategies from engineering and operation perspectives to implement CCUS is challenging. This is due to the diversity of upstream emitting processes located in different geographical areas, available downstream utilization technologies, storage sites capacity/location, and current/future energy/emissions/economic conditions. This paper identifies the need to achieve a robust hybrid assessment tool for CCUS modeling, simulation, and optimization based mainly on artificial intelligence (AI) combined with mechanistic methods. Thus, a critical literature review is conducted to assess CCUS technologies and their related process modeling/simulation/optimization techniques, while evaluating the needs for improvements or new developments to reduce overall CCUS systems design and operation costs. These techniques include first principles- based and data-driven ones, i.e. AI and related machine learning (ML) methods. Besides, the paper gives an overview on the role of life cycle assessment (LCA) to evaluate CCUS systems where the combined LCA-AI approach is assessed. Other advanced methods based on the AI/ML capabilities/algorithms can be developed to optimize the whole CCUS value chain. Interpretable ML combined with explainable AI can accelerate optimum materials selection by giving strong rules which accelerates the design of capture/utilization plants afterwards. Besides, deep reinforcement learning (DRL) coupled with process simulations will accelerate process design/operation optimization through considering simultaneous optimization of equipment sizing and operating conditions. Moreover, generative deep learning (GDL) is a key solution to optimum capture/utilization materials design/discovery. All of these developed methods will be generalizable where the extracted knowledge can be transferred to future works to help cutting the costs of CCUS value chain.